BDBM50536236 CHEMBL4593452

SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCCC1)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key: InChIKey=FWHCHEWNFHQYBX-IYARVYRRSA-N

Data: 2 EC50

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 = 50536236   

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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50536236 (CHEMBL4593452) Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCCC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(16.57,-2.52,;15.71,-3.8,;16.39,-5.18,;15.53,-6.46,;13.99,-6.34,;13.31,-4.97,;14.17,-3.69,;13.14,-7.62,;13.82,-9.01,;11.6,-7.52,;10.92,-6.14,;9.38,-6.04,;8.53,-7.32,;8.7,-4.66,;9.43,-3.3,;8.35,-2.19,;6.97,-2.88,;7.19,-4.4,;10.74,-8.8,;9.21,-8.87,;8.78,-10.35,;10.06,-11.2,;11.27,-10.25,;12.6,-11.02,;12.6,-12.56,;13.93,-10.25,;7.34,-10.87,;5.88,-11.41,;4.44,-11.93,;3.25,-10.95,;4.17,-13.45,;2.78,-12.55,)| Show InChI InChI=1S/C25H34N2O4S/c1-17-7-9-18(10-8-17)23(29)27(16-21(28)26-13-5-6-14-26)20-15-19(11-12-25(2,3)4)32-22(20)24(30)31/h15,17-18H,5-10,13-14,16H2,1-4H3,(H,30,31)/t17-,18-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/transla...				J Med Chem 59: 6293-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00541
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50536236 (CHEMBL4593452) Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCCC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(16.57,-2.52,;15.71,-3.8,;16.39,-5.18,;15.53,-6.46,;13.99,-6.34,;13.31,-4.97,;14.17,-3.69,;13.14,-7.62,;13.82,-9.01,;11.6,-7.52,;10.92,-6.14,;9.38,-6.04,;8.53,-7.32,;8.7,-4.66,;9.43,-3.3,;8.35,-2.19,;6.97,-2.88,;7.19,-4.4,;10.74,-8.8,;9.21,-8.87,;8.78,-10.35,;10.06,-11.2,;11.27,-10.25,;12.6,-11.02,;12.6,-12.56,;13.93,-10.25,;7.34,-10.87,;5.88,-11.41,;4.44,-11.93,;3.25,-10.95,;4.17,-13.45,;2.78,-12.55,)| Show InChI InChI=1S/C25H34N2O4S/c1-17-7-9-18(10-8-17)23(29)27(16-21(28)26-13-5-6-14-26)20-15-19(11-12-25(2,3)4)32-22(20)24(30)31/h15,17-18H,5-10,13-14,16H2,1-4H3,(H,30,31)/t17-,18-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Allosteric inhibition of HCV genotype 1a NS5A infected in human W11.8 cells assessed as reduction in viral RNA replication after 4 days by ELISA				J Med Chem 59: 6293-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00541
					More data for this Ligand-Target Pair