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BDBM50321623 CHEMBL1171314::N-(2-chloro-5-(1-(3-(4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzyl)benzamide::N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide

SMILES: Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(ccc3=O)-c3ccc(Cl)c(CNC(=O)c4ccccc4)c3)CC2)c1=O

InChI Key: InChIKey=ZJXORVFCSQEKCZ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321623   
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))
BDBM50321623
PNG
(CHEMBL1171314 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3...)
Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(ccc3=O)-c3ccc(Cl)c(CNC(=O)c4ccccc4)c3)CC2)c1=O
Show InChI InChI=1S/C34H34Cl2N6O3/c1-39-30-12-9-26(35)21-31(30)42(34(39)45)27-14-18-40(19-15-27)16-5-17-41-32(43)13-11-29(38-41)24-8-10-28(36)25(20-24)22-37-33(44)23-6-3-2-4-7-23/h2-4,6-13,20-21,27H,5,14-19,22H2,1H3,(H,37,44)
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n/an/a 430n/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: 4060-4 (2010)

More data for this
Ligand-Target Pair