Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229543'   

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))	BDBM229543 (US9334279, 1019) 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)-c1ncccn1 |r,c:42| Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29-,31?,34-,37+,38+,46-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	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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