Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229551'   

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))	BDBM229551 (US9334279, 1027) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(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)n1 |r,c:45| Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26-,28?,31-,33+,35+,42-/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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