Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' and Ligand = 'BDBM229572'   

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))	BDBM229572 (US9334279, 1048) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)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:46| Show InChI InChI=1S/C49H60F3N7O10S/c1-29(2)67-34-14-12-32(13-15-34)37-23-35(24-38(55-37)41-53-19-9-20-54-41)68-36-25-39-42(60)57-48(44(62)58-70(64,65)46(5)17-18-46)26-33(48)11-7-6-10-30(3)22-31(4)40(43(61)59(39)27-36)56-45(63)69-47(49(50,51)52)16-8-21-66-28-47/h7,9,11-15,19-20,23-24,29-31,33,36,39-40H,6,8,10,16-18,21-22,25-28H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b11-7-/t30-,31-,33?,36-,39+,40+,47?,48-/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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