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PDB code 3BJM

Compile Data Set for Download or QSAR

Similar Ligands in BindingDB*

Found 38 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11541
PNG
((1S,3S,5S)-2-[(2S)-2-(adamantan-1-yl)-2-aminoacety...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:19.20.18,17:18:16.15.21:13,15:14:16.21.17:20|
Show InChI InChI=1/C18H25N3O/c19-9-14-4-13-5-15(13)21(14)17(22)16(20)18-6-10-1-11(7-18)3-12(2-10)8-18/h10-16H,1-8,20H2/t10?,11?,12?,13-,14+,15+,16-,18?/s2
PDB
MMDB

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PubMed
0.900 -51.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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1.40n/an/an/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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1.40n/an/an/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Dipeptidyl peptidase IV (DPP-IV)


J Med Chem 46: 2774-89 (2003)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11911
PNG
((2S)-2-amino-N-(cyanomethyl)-N-ethyl-2-(3-hydroxya...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:17:12:14.21.15,18:17:21:12.14.13,19:17:21:12.14.13,19:13:21:17.20.16,THB:16:17:12:14.21.15,16:15:12:17.20.19|
Show InChI InChI=1/C16H25N3O2/c1-2-19(4-3-17)14(20)13(18)15-6-11-5-12(7-15)9-16(21,8-11)10-15/h11-13,21H,2,4-10,18H2,1H3/t11?,12?,13-,15-,16?/s2
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Article
PubMed
3 -48.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11533
PNG
((1S,3S,5S)-2-[(2S)-2-amino-3,3-dimethylpentanoyl]-...)
Show SMILES CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c1-4-13(2,3)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,4-6,15H2,1-3H3/t8-,9+,10+,11-/s2
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PubMed
7.10 -46.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11910
PNG
((2S)-2-amino-N-(cyanomethyl)-2-(3-hydroxyadamantan...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:16:20:11.13.12,18:12:20:16.19.15,17:16:11:13.20.14,17:16:20:11.13.12,THB:15:16:11:13.20.14,15:14:11:16.19.18|
Show InChI InChI=1/C15H23N3O2/c1-18(3-2-16)13(19)12(17)14-5-10-4-11(6-14)8-15(20,7-10)9-14/h10-12,20H,3-9,17H2,1H3/t10?,11?,12-,14-,15?/s2
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PubMed
18 -43.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11905
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|
Show InChI InChI=1/C16H25N3O/c1-2-19(4-3-17)15(20)14(18)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,2,4-10,18H2,1H3/t11?,12?,13?,14-,16-/s2
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PubMed
27 -42.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11534
PNG
((1S,3S,5S)-2-[(2S)-2-amino-3,3-diethylpentanoyl]-2...)
Show SMILES CCC(CC)(CC)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Show InChI InChI=1/C15H25N3O/c1-4-15(5-2,6-3)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,4-8,17H2,1-3H3/t10-,11+,12+,13-/s2
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31 -42.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11904
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:13:14:18:17.11.12,THB:15:14:11:18.17.16,15:16:11:14.19.13,13:12:18:14.19.15|
Show InChI InChI=1/C15H23N3O/c1-18(3-2-16)14(19)13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,3-9,17H2,1H3/t10?,11?,12?,13-,15-/s2
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PubMed
74 -40.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/s2
PDB
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PubMed
121n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11892
PNG
((2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylb...)
Show SMILES [H][C@@](N)(C(=O)N(CC)CC#N)C(C)(C)C |r|
Show InChI InChI=1/C10H19N3O/c1-5-13(7-6-11)9(14)8(12)10(2,3)4/h8H,5,7,12H2,1-4H3/t8-/s2
PDB
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Article
PubMed
182 -38.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11908
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CC#N)C1CC1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
Show InChI InChI=1/C17H25N3O/c18-3-4-20(14-1-2-14)16(21)15(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-2,4-10,19H2/t11?,12?,13?,15-,17-/s2
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PubMed
188 -38.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11890
PNG
((2S)-2-amino-N-(cyanomethyl)-N,3-dimethylbutanamid...)
Show SMILES [H][C@](N)(C(C)C)C(=O)N(C)CC#N |r|
Show InChI InChI=1/C8H15N3O/c1-6(2)7(10)8(12)11(3)5-4-9/h6-7H,5,10H2,1-3H3/t7-/s2
PDB
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PubMed
260 -37.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11901
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoeth...)
Show SMILES [H][C@@](N)(C(=O)N[C@@H](C)C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:17:16:19:11.13.12,17:12:19:16.18.15,THB:15:16:11:13.19.14,15:14:11:16.18.17|
Show InChI InChI=1/C15H23N3O/c1-9(8-16)18-14(19)13(17)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-13H,2-7,17H2,1H3,(H,18,19)/t9-,10?,11?,12?,13+,15?/s2
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PubMed
399 -36.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11891
PNG
((2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutana...)
Show SMILES [H][C@@](N)(C(=O)N(C)CC#N)C(C)(C)C |r|
Show InChI InChI=1/C9H17N3O/c1-9(2,3)7(11)8(13)12(4)6-5-10/h7H,6,11H2,1-4H3/t7-/s2
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PubMed
507 -35.6n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11897
PNG
((2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethyl...)
Show SMILES [H][C@@](N)(C(=O)N(C)[C@@H](C)C#N)C(C)(C)C |r|
Show InChI InChI=1/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8+/s2
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PubMed
513 -35.5n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11906
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-...)
Show SMILES [H][C@@](N)(C(=O)N(CCC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
Show InChI InChI=1/C17H27N3O/c1-2-4-20(5-3-18)16(21)15(19)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2,4-11,19H2,1H3/t12?,13?,14?,15-,17-/s2
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Article
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673 -34.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11895
PNG
((2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dim...)
Show SMILES [H][C@@](N)(C(=O)N(CC#N)C1CC1)C(C)(C)C |r|
Show InChI InChI=1/C11H19N3O/c1-11(2,3)9(13)10(15)14(7-6-12)8-4-5-8/h8-9H,4-5,7,13H2,1-3H3/t9-/s2
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1.31E+3 -33.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11899
PNG
((2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbut...)
Show SMILES [H][C@@](N)(C(=O)N[C@@H](C)C#N)C(C)(C)C |r|
Show InChI InChI=1/C9H17N3O/c1-6(5-10)12-8(13)7(11)9(2,3)4/h6-7H,11H2,1-4H3,(H,12,13)/t6-,7+/s2
PDB
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PubMed
4.42E+3 -30.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11898
PNG
((2S)-2-amino-N-[(1R)-1-cyanoethyl]-N,3,3-trimethyl...)
Show SMILES [H][C@@](N)(C(=O)N(C)[C@H](C)C#N)C(C)(C)C |r|
Show InChI InChI=1/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8-/s2
PDB
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11893
PNG
((2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylb...)
Show SMILES [H][C@@](N)(C(=O)N(CCCC)CC#N)C(C)(C)C |r|
Show InChI InChI=1/C12H23N3O/c1-5-6-8-15(9-7-13)11(16)10(14)12(2,3)4/h10H,5-6,8-9,14H2,1-4H3/t10-/s2
PDB
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11903
PNG
((2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)ace...)
Show SMILES [H][C@@](N)(C(=O)NCC#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:16:15:18:10.12.11,16:11:18:15.17.14,THB:14:15:10:12.18.13,14:13:10:15.17.16|
Show InChI InChI=1/C14H21N3O/c15-1-2-17-13(18)12(16)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,2-8,16H2,(H,17,18)/t9?,10?,11?,12-,14?/s2
PDB
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 16: 1731-4 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV

  (618/730 = 85%)
(Rattus norvegicus (rat))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV

  (618/730 = 85%)
(Rattus norvegicus (rat))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 2.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma


J Med Chem 46: 2774-89 (2003)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 3.15n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma


J Med Chem 46: 2774-89 (2003)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 12n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 12n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
PDB
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/s2
PDB
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n/an/a 320n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl-peptidase IV.


Bioorg Med Chem Lett 14: 43-6 (2003)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/s2
PDB
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n/an/a 320n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/s2
PDB
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 1265-8 (2004)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/s2
PDB
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n/an/a 1.03E+3n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM12190
PNG
((2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2/t12-/s2
PDB
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n/an/a 3.10E+4n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV

  (649/727 = 89%)
(Bos taurus)
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/s2
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n/an/a 1.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl-peptidase II (DPP-II) extracted from bovine kidney homogenate


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output