Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM50537587'   

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)	BDBM50537587 (CHEMBL4633142) Show SMILES CC1COc2cc3c(c(C(=O)NS(C)(=O)=O)n(Cc4cc(F)ccc4F)c3cc12)-c1ccc[nH]c1=O |(21.41,-24.4,;22.91,-24.06,;23.53,-22.66,;25.05,-22.81,;25.38,-24.31,;26.73,-25.08,;26.73,-26.63,;27.88,-27.65,;27.26,-29.06,;28.03,-30.39,;29.57,-30.39,;27.27,-31.73,;28.04,-33.05,;27.27,-34.4,;29.37,-32.28,;29.38,-33.82,;25.73,-28.9,;24.94,-30.23,;23.4,-30.21,;22.65,-28.87,;21.11,-28.85,;20.36,-27.51,;20.32,-30.18,;21.09,-31.53,;22.63,-31.54,;23.39,-32.88,;25.4,-27.4,;24.06,-26.63,;24.06,-25.08,;29.38,-27.33,;30.41,-28.47,;31.91,-28.15,;32.39,-26.69,;31.36,-25.54,;29.85,-25.86,;28.81,-24.72,)| Show InChI InChI=1S/C25H21F2N3O5S/c1-13-12-35-21-10-18-20(9-17(13)21)30(11-14-8-15(26)5-6-19(14)27)23(25(32)29-36(2,33)34)22(18)16-4-3-7-28-24(16)31/h3-10,13H,11-12H2,1-2H3,(H,28,31)(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
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