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SMILES: CN(C)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=JFSHMNWNAXBGLQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50425905   
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))		BDBM50425905
PNG
(CHEMBL2312678)
Show SMILES CN(C)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C38H42Cl2N6O2/c1-43(2)38(47)45-19-16-36-34(27-45)37(42-46(36)18-3-17-44-20-22-48-23-21-44)32-12-15-35(40)31(24-32)11-8-28-4-6-29(7-5-28)25-41-26-30-9-13-33(39)14-10-30/h4-7,9-10,12-15,24,41H,3,16-23,25-27H2,1-2H3
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PubMed
n/an/a 4.56E+3n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S

Bioorg Med Chem Lett 23: 1070-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.014
BindingDB Entry DOI: 10.7270/Q2T43VD9
More data for this
Ligand-Target Pair