Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50505971'   

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)	BDBM50505971 (CHEMBL4529292) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCC3(CC3)COc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H56N8O8/c1-25(2)37(50-43(56)58-5)41(54)52-17-7-9-33(52)39-46-21-31(48-39)27-11-13-29-30-14-12-28(20-36(30)61-24-45(15-16-45)23-60-35(29)19-27)32-22-47-40(49-32)34-10-8-18-53(34)42(55)38(26(3)4)51-44(57)59-6/h11-14,19-22,25-26,33-34,37-38H,7-10,15-18,23-24H2,1-6H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t33-,34-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.135	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505971 (CHEMBL4529292) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCC3(CC3)COc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H56N8O8/c1-25(2)37(50-43(56)58-5)41(54)52-17-7-9-33(52)39-46-21-31(48-39)27-11-13-29-30-14-12-28(20-36(30)61-24-45(15-16-45)23-60-35(29)19-27)32-22-47-40(49-32)34-10-8-18-53(34)42(55)38(26(3)4)51-44(57)59-6/h11-14,19-22,25-26,33-34,37-38H,7-10,15-18,23-24H2,1-6H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t33-,34-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair