Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229536'   

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 [1028-1200,1251-1711] (Hepatitis C virus genotype 1b (strain J4L2S) (HCV))	BDBM229536 (US9334279, 1012) Show SMILES COc1cccc(n1)-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)-c1ccc(OC(C)C)cc1 |r,c:40| Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30+,32?,35+,39-,41-,48+/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	n/a
Bristol-Myers Squibb Company US Patent									US Patent US9334279 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R1W
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