Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50505982'   

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)	BDBM50505982 (CHEMBL4472336) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCCc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C41H52N8O6S/c1-22(2)33(46-40(52)54-5)38(50)48-16-8-12-30(48)36-42-20-28(44-36)25-14-15-27-24(18-25)10-7-11-26-19-32(56-35(26)27)29-21-43-37(45-29)31-13-9-17-49(31)39(51)34(23(3)4)47-41(53)55-6/h14-15,18-23,30-31,33-34H,7-13,16-17H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	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)	BDBM50505982 (CHEMBL4472336) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCCc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C41H52N8O6S/c1-22(2)33(46-40(52)54-5)38(50)48-16-8-12-30(48)36-42-20-28(44-36)25-14-15-27-24(18-25)10-7-11-26-19-32(56-35(26)27)29-21-43-37(45-29)31-13-9-17-49(31)39(51)34(23(3)4)47-41(53)55-6/h14-15,18-23,30-31,33-34H,7-13,16-17H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.801	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