Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229548'   

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))	BDBM229548 (US9334279, 1024) 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(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23+,24?,26+,29-,30-,39+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.75	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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