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BDBM50314245 CHEMBL1090987::rac-2-(5-(5-ethyl-1-(2-hydroxy-3-(4-(pyridin-2-yl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(pyrrolidin-1-yl)ethanone

SMILES: CCN1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F

InChI Key: InChIKey=BNQVFVPZXLTYLM-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314245   
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))
BDBM50314245
PNG
(CHEMBL1090987 | rac-2-(5-(5-ethyl-1-(2-hydroxy-3-(...)
Show SMILES CCN1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
Show InChI InChI=1/C34H43F3N6O2S/c1-2-40-18-12-30-27(22-40)33(25-8-9-28(34(35,36)37)31(19-25)46-23-32(45)42-14-5-6-15-42)39-43(30)21-26(44)20-41-16-10-24(11-17-41)29-7-3-4-13-38-29/h3-4,7-9,13,19,24,26,44H,2,5-6,10-12,14-18,20-23H2,1H3
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MMDB

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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair