BDBM50221227 CHEMBL396600::N-ethyl-6-fluoro-3-(1-(3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)benzo[b]thiophene-2-carboxamide

SMILES: CCNC(=O)c1sc2cc(F)ccc2c1C1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(cc2)C(F)(F)F)CC1

InChI Key: InChIKey=BWVAZLGDVQMTSE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50221227   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM50221227 (CHEMBL396600 | N-ethyl-6-fluoro-3-(1-(3-(5-(methyl...) Show SMILES CCNC(=O)c1sc2cc(F)ccc2c1C1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C33H37F4N5O3S2/c1-3-38-32(43)31-29(25-10-9-24(34)19-28(25)46-31)21-11-16-40(17-12-21)14-4-15-42-27-13-18-41(47(2,44)45)20-26(27)30(39-42)22-5-7-23(8-6-22)33(35,36)37/h5-10,19,21H,3-4,11-18,20H2,1-2H3,(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells by invariant chain degradation assay				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50221227 (CHEMBL396600 | N-ethyl-6-fluoro-3-(1-(3-(5-(methyl...) Show SMILES CCNC(=O)c1sc2cc(F)ccc2c1C1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C33H37F4N5O3S2/c1-3-38-32(43)31-29(25-10-9-24(34)19-28(25)46-31)21-11-16-40(17-12-21)14-4-15-42-27-13-18-41(47(2,44)45)20-26(27)30(39-42)22-5-7-23(8-6-22)33(35,36)37/h5-10,19,21H,3-4,11-18,20H2,1-2H3,(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair