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BDBM50395247 CHEMBL2164690

SMILES: CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N

InChI Key: InChIKey=GXGPSYNIHMEZMU-RTBURBONSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50395247   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50395247
PNG
(CHEMBL2164690)
Show SMILES CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H32N4O2/c1-16(2)17-7-8-22-20(13-17)21-14-30(12-9-23(21)28-22)25(32)19-6-4-3-5-18(19)24(31)29-26(15-27)10-11-26/h7-8,13,16,18-19,28H,3-6,9-12,14H2,1-2H3,(H,29,31)/t18-,19-/m1/s1
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Article
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay


J Med Chem 55: 6363-74 (2012)


Article DOI: 10.1021/jm3007257
BindingDB Entry DOI: 10.7270/Q2833T5F
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50395247
PNG
(CHEMBL2164690)
Show SMILES CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H32N4O2/c1-16(2)17-7-8-22-20(13-17)21-14-30(12-9-23(21)28-22)25(32)19-6-4-3-5-18(19)24(31)29-26(15-27)10-11-26/h7-8,13,16,18-19,28H,3-6,9-12,14H2,1-2H3,(H,29,31)/t18-,19-/m1/s1
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PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatS assessed as suppression of enzyme-mediated Z-Val-Val-Arg-AMC cleavage by QFRET assay


J Med Chem 55: 6363-74 (2012)


Article DOI: 10.1021/jm3007257
BindingDB Entry DOI: 10.7270/Q2833T5F
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50395247
PNG
(CHEMBL2164690)
Show SMILES CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H32N4O2/c1-16(2)17-7-8-22-20(13-17)21-14-30(12-9-23(21)28-22)25(32)19-6-4-3-5-18(19)24(31)29-26(15-27)10-11-26/h7-8,13,16,18-19,28H,3-6,9-12,14H2,1-2H3,(H,29,31)/t18-,19-/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay


J Med Chem 55: 6363-74 (2012)


Article DOI: 10.1021/jm3007257
BindingDB Entry DOI: 10.7270/Q2833T5F
More data for this
Ligand-Target Pair