Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50536238'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nonstructural protein 5A (Hepatitis C virus)	BDBM50536238 (CHEMBL4513308) Show SMILES CC[C@H](N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C)C(=O)N(C)C |r,wU:9.9,wD:6.5,2.1,(31.21,-2.59,;31.89,-3.98,;31.04,-5.26,;31.72,-6.64,;33.26,-6.74,;33.94,-8.12,;34.11,-5.46,;35.65,-5.57,;36.51,-4.3,;35.83,-2.91,;36.69,-1.64,;34.29,-2.81,;33.43,-4.09,;30.86,-7.92,;29.33,-7.98,;28.9,-9.46,;30.18,-10.32,;31.39,-9.37,;32.72,-10.13,;32.72,-11.67,;34.05,-9.37,;27.46,-9.99,;26,-10.52,;24.56,-11.05,;23.38,-10.06,;24.29,-12.56,;22.9,-11.66,;29.5,-5.15,;28.65,-6.43,;28.82,-3.77,;29.68,-2.49,;27.28,-3.67,)| Show InChI InChI=1S/C25H36N2O4S/c1-8-19(23(29)26(6)7)27(22(28)17-11-9-16(2)10-12-17)20-15-18(13-14-25(3,4)5)32-21(20)24(30)31/h15-17,19H,8-12H2,1-7H3,(H,30,31)/t16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	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 BindingDB Entry DOI: 10.7270/Q23T9MQ3
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50536238 (CHEMBL4513308) Show SMILES CC[C@H](N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C)C(=O)N(C)C |r,wU:9.9,wD:6.5,2.1,(31.21,-2.59,;31.89,-3.98,;31.04,-5.26,;31.72,-6.64,;33.26,-6.74,;33.94,-8.12,;34.11,-5.46,;35.65,-5.57,;36.51,-4.3,;35.83,-2.91,;36.69,-1.64,;34.29,-2.81,;33.43,-4.09,;30.86,-7.92,;29.33,-7.98,;28.9,-9.46,;30.18,-10.32,;31.39,-9.37,;32.72,-10.13,;32.72,-11.67,;34.05,-9.37,;27.46,-9.99,;26,-10.52,;24.56,-11.05,;23.38,-10.06,;24.29,-12.56,;22.9,-11.66,;29.5,-5.15,;28.65,-6.43,;28.82,-3.77,;29.68,-2.49,;27.28,-3.67,)| Show InChI InChI=1S/C25H36N2O4S/c1-8-19(23(29)26(6)7)27(22(28)17-11-9-16(2)10-12-17)20-15-18(13-14-25(3,4)5)32-21(20)24(30)31/h15-17,19H,8-12H2,1-7H3,(H,30,31)/t16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	16	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 BindingDB Entry DOI: 10.7270/Q23T9MQ3
					More data for this Ligand-Target Pair