Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM100758'   

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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM100758 (US8507683, 9) Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(COC1)c1ccccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H24F3N3O4/c1-17-22(13-19(14-23(17)34)30(39)38-32(15-41-16-32)25-5-3-4-12-37-25)21-10-11-24-26(28(21)35)27(31(40)36-2)29(42-24)18-6-8-20(33)9-7-18/h3-14H,15-16H2,1-2H3,(H,36,40)(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HCV NS5B enzyme assay.				US Patent US8507683 (2013) BindingDB Entry DOI: 10.7270/Q2C827XJ
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