Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50514784'   

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)	BDBM50514784 (CHEMBL4567354) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@H](CO)NC(=O)OC |r| Show InChI InChI=1S/C44H52N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-35-10-6-8-26(35)18-37(52)40-46-20-32(48-40)24-12-14-28-29-15-23(11-13-27(29)30(28)16-24)31-19-45-39(47-31)36-17-25-7-5-9-34(25)51(36)41(54)33(21-53)49-43(56)58-3/h11-16,19-20,22,25-26,33-38,53H,5-10,17-18,21H2,1-4H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57)/t25-,26-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0200	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)	BDBM50514784 (CHEMBL4567354) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@H](CO)NC(=O)OC |r| Show InChI InChI=1S/C44H52N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-35-10-6-8-26(35)18-37(52)40-46-20-32(48-40)24-12-14-28-29-15-23(11-13-27(29)30(28)16-24)31-19-45-39(47-31)36-17-25-7-5-9-34(25)51(36)41(54)33(21-53)49-43(56)58-3/h11-16,19-20,22,25-26,33-38,53H,5-10,17-18,21H2,1-4H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57)/t25-,26-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.37	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				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)	BDBM50514784 (CHEMBL4567354) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@H](CO)NC(=O)OC |r| Show InChI InChI=1S/C44H52N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-35-10-6-8-26(35)18-37(52)40-46-20-32(48-40)24-12-14-28-29-15-23(11-13-27(29)30(28)16-24)31-19-45-39(47-31)36-17-25-7-5-9-34(25)51(36)41(54)33(21-53)49-43(56)58-3/h11-16,19-20,22,25-26,33-38,53H,5-10,17-18,21H2,1-4H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57)/t25-,26-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00600	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