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3 similar compounds to monomer 50390404

Wt: 372.4
BDBM50397119
Wt: 380.4
BDBM50397123
Wt: 394.5
BDBM50397140

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50397119,50397123,50397140   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L1


(Homo sapiens (human))
BDBM50397119
PNG
(CHEMBL2171984)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1/C20H25FN4O2/c21-15-5-7-16(8-6-15)24-11-13-25(14-12-24)20(27)18-4-2-1-3-17(18)19(26)23-10-9-22/h5-8,17-18H,1-4,10-14H2,(H,23,26)/t17-,18-/s2
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50397123
PNG
(CHEMBL2171991)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C22H28N4O2/c23-16-22(10-11-22)24-20(27)18-8-4-5-9-19(18)21(28)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-15H2,(H,24,27)/t18-,19-/s2
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50397119
PNG
(CHEMBL2171984)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1/C20H25FN4O2/c21-15-5-7-16(8-6-15)24-11-13-25(14-12-24)20(27)18-4-2-1-3-17(18)19(26)23-10-9-22/h5-8,17-18H,1-4,10-14H2,(H,23,26)/t17-,18-/s2
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50397119
PNG
(CHEMBL2171984)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1/C20H25FN4O2/c21-15-5-7-16(8-6-15)24-11-13-25(14-12-24)20(27)18-4-2-1-3-17(18)19(26)23-10-9-22/h5-8,17-18H,1-4,10-14H2,(H,23,26)/t17-,18-/s2
PDB
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n/an/a 1.68E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-S using Z-Val-Val-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50397123
PNG
(CHEMBL2171991)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C22H28N4O2/c23-16-22(10-11-22)24-20(27)18-8-4-5-9-19(18)21(28)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-15H2,(H,24,27)/t18-,19-/s2
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50397140
PNG
(CHEMBL2172007)
Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Show InChI InChI=1/C23H30N4O2/c1-17-15-26(18-7-3-2-4-8-18)13-14-27(17)22(29)20-10-6-5-9-19(20)21(28)25-23(16-24)11-12-23/h2-4,7-8,17,19-20H,5-6,9-15H2,1H3,(H,25,28)/t17-,19-,20-/s2
PDB
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50397119
PNG
(CHEMBL2171984)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1/C20H25FN4O2/c21-15-5-7-16(8-6-15)24-11-13-25(14-12-24)20(27)18-4-2-1-3-17(18)19(26)23-10-9-22/h5-8,17-18H,1-4,10-14H2,(H,23,26)/t17-,18-/s2
PDB
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n/an/a 315n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50397123
PNG
(CHEMBL2171991)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C22H28N4O2/c23-16-22(10-11-22)24-20(27)18-8-4-5-9-19(18)21(28)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-15H2,(H,24,27)/t18-,19-/s2
PDB
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n/an/a 2.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-S using Z-Val-Val-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50397140
PNG
(CHEMBL2172007)
Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Show InChI InChI=1/C23H30N4O2/c1-17-15-26(18-7-3-2-4-8-18)13-14-27(17)22(29)20-10-6-5-9-19(20)21(28)25-23(16-24)11-12-23/h2-4,7-8,17,19-20H,5-6,9-15H2,1H3,(H,25,28)/t17-,19-,20-/s2
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50397140
PNG
(CHEMBL2172007)
Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Show InChI InChI=1/C23H30N4O2/c1-17-15-26(18-7-3-2-4-8-18)13-14-27(17)22(29)20-10-6-5-9-19(20)21(28)25-23(16-24)11-12-23/h2-4,7-8,17,19-20H,5-6,9-15H2,1H3,(H,25,28)/t17-,19-,20-/s2
PDB
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n/an/a 649n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50397140
PNG
(CHEMBL2172007)
Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r|
Show InChI InChI=1/C23H30N4O2/c1-17-15-26(18-7-3-2-4-8-18)13-14-27(17)22(29)20-10-6-5-9-19(20)21(28)25-23(16-24)11-12-23/h2-4,7-8,17,19-20H,5-6,9-15H2,1H3,(H,25,28)/t17-,19-,20-/s2
PDB
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-S using Z-Val-Val-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50397123
PNG
(CHEMBL2171991)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C22H28N4O2/c23-16-22(10-11-22)24-20(27)18-8-4-5-9-19(18)21(28)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-15H2,(H,24,27)/t18-,19-/s2
PDB
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n/an/a 1.44E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay


J Med Chem 55: 8827-37 (2012)

More data for this
Ligand-Target Pair