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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
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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...


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



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


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


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)


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

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(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...


Citation and Details
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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Article
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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Article
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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
PubMed
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...


Citation and Details
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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Article
PubMed
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...


Citation and Details
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
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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...


Citation and Details
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
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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...


Citation and Details
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...


Citation and Details
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
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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...


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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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


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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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


Citation and Details
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


Citation and Details
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



Novartis Institute for Biomedical Research

Curated by ChEMBL


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


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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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


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
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


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
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...


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
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...


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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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]


Citation and Details
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
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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.


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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...


Citation and Details
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
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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...


Citation and Details
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


Citation and Details
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