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BDBM50314182 CHEMBL1089279::rac-N-(2-(5-(1-(2-hydroxy-3-(4-(2-oxopyrrolidin-1-yl)piperidin-1-yl)propyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)ethyl)piperidine-3-carboxamide

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)C2CCCNC2)c1)C(F)(F)F

InChI Key: InChIKey=LLXAVDQELXMNJM-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314182   
Target/Host
(Institution)
LigandTarget/Host
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 S


(Homo sapiens (Human))
BDBM50314182
PNG
(CHEMBL1089279 | rac-N-(2-(5-(1-(2-hydroxy-3-(4-(2-...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)C2CCCNC2)c1)C(F)(F)F
Show InChI InChI=1/C34H48F3N7O5S2/c1-51(48,49)42-16-10-29-27(22-42)32(40-44(29)21-26(45)20-41-14-8-25(9-15-41)43-13-3-5-31(43)46)23-6-7-28(34(35,36)37)30(18-23)50-17-12-39-33(47)24-4-2-11-38-19-24/h6-7,18,24-26,38,45H,2-5,8-17,19-22H2,1H3,(H,39,47)
PDB
MMDB

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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair