Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229539'   

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))	BDBM229539 (US9334279, 1015) Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,30+,37-/m1/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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