Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50514778'   

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)	BDBM50514778 (CHEMBL4466702) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2c(c1)n(C)c1cc(ccc21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H59N9O8/c1-24(61-4)40(52-46(59)63-6)44(57)55-34-12-8-10-28(34)20-38(55)42-48-22-32(50-42)26-14-16-30-31-17-15-27(19-37(31)54(3)36(30)18-26)33-23-49-43(51-33)39-21-29-11-9-13-35(29)56(39)45(58)41(25(2)62-5)53-47(60)64-7/h14-19,22-25,28-29,34-35,38-41H,8-13,20-21H2,1-7H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t24-,25-,28+,29+,34+,35+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.148	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514778 (CHEMBL4466702) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2c(c1)n(C)c1cc(ccc21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H59N9O8/c1-24(61-4)40(52-46(59)63-6)44(57)55-34-12-8-10-28(34)20-38(55)42-48-22-32(50-42)26-14-16-30-31-17-15-27(19-37(31)54(3)36(30)18-26)33-23-49-43(51-33)39-21-29-11-9-13-35(29)56(39)45(58)41(25(2)62-5)53-47(60)64-7/h14-19,22-25,28-29,34-35,38-41H,8-13,20-21H2,1-7H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t24-,25-,28+,29+,34+,35+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair