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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-UHFFFAOYSA-N

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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=1S/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)
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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