BDBM50536241 CHEMBL4559288

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

InChI Key: InChIKey=NASMTCJDVNHCPK-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 = 50536241   

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)	BDBM50536241 (CHEMBL4559288) Show SMILES CCN(CC)C(=O)CN(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:14.14,wD:11.10,(69.43,-29.13,;70.11,-30.51,;69.25,-31.79,;67.72,-31.69,;67.03,-30.31,;69.93,-33.17,;69.08,-34.45,;71.47,-33.27,;72.15,-34.65,;73.69,-34.75,;74.37,-36.14,;74.54,-33.47,;76.08,-33.59,;76.94,-32.31,;76.26,-30.93,;77.13,-29.65,;74.73,-30.82,;73.86,-32.1,;71.29,-35.93,;69.76,-36,;69.33,-37.48,;70.61,-38.33,;71.83,-37.38,;73.15,-38.15,;73.15,-39.69,;74.49,-37.38,;67.89,-38,;66.43,-38.54,;64.99,-39.06,;63.81,-38.08,;64.72,-40.58,;63.33,-39.68,)| Show InChI InChI=1S/C25H36N2O4S/c1-7-26(8-2)21(28)16-27(23(29)18-11-9-17(3)10-12-18)20-15-19(13-14-25(4,5)6)32-22(20)24(30)31/h15,17-18H,7-12,16H2,1-6H3,(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	51	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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50536241 (CHEMBL4559288) Show SMILES CCN(CC)C(=O)CN(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:14.14,wD:11.10,(69.43,-29.13,;70.11,-30.51,;69.25,-31.79,;67.72,-31.69,;67.03,-30.31,;69.93,-33.17,;69.08,-34.45,;71.47,-33.27,;72.15,-34.65,;73.69,-34.75,;74.37,-36.14,;74.54,-33.47,;76.08,-33.59,;76.94,-32.31,;76.26,-30.93,;77.13,-29.65,;74.73,-30.82,;73.86,-32.1,;71.29,-35.93,;69.76,-36,;69.33,-37.48,;70.61,-38.33,;71.83,-37.38,;73.15,-38.15,;73.15,-39.69,;74.49,-37.38,;67.89,-38,;66.43,-38.54,;64.99,-39.06,;63.81,-38.08,;64.72,-40.58,;63.33,-39.68,)| Show InChI InChI=1S/C25H36N2O4S/c1-7-26(8-2)21(28)16-27(23(29)18-11-9-17(3)10-12-18)20-15-19(13-14-25(4,5)6)32-22(20)24(30)31/h15,17-18H,7-12,16H2,1-6H3,(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	23	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