Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1711]' and Ligand = 'BDBM229530'   

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
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM229530 (US9334279, 1006) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...				US Patent US9334279 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R1W
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