BDBM50537586 CHEMBL4641917

SMILES: CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2ccc(Cl)cc2n1Cc1ccnc(N)c1

InChI Key: InChIKey=JMGANSJPVOEXRZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537586   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50537586 (CHEMBL4641917) Show SMILES CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2ccc(Cl)cc2n1Cc1ccnc(N)c1 |(15.23,-36.58,;14.44,-35.25,;14.44,-33.71,;15.77,-34.47,;12.91,-35.27,;12.13,-33.95,;10.57,-33.96,;9.79,-32.62,;10.56,-31.28,;12.1,-31.28,;12.88,-32.6,;12.87,-29.94,;14.2,-29.16,;14.2,-30.7,;12.09,-28.61,;12.86,-27.28,;14.4,-27.27,;12.08,-25.95,;12.7,-24.54,;14.2,-24.22,;15.24,-25.36,;16.73,-25.04,;17.21,-23.58,;16.18,-22.43,;14.67,-22.75,;13.64,-21.61,;11.56,-23.52,;11.55,-21.97,;10.22,-21.2,;8.89,-21.97,;7.55,-21.2,;8.89,-23.52,;10.23,-24.29,;10.55,-25.79,;9.77,-27.12,;8.23,-27.1,;7.46,-28.42,;5.92,-28.41,;5.16,-27.06,;5.94,-25.74,;5.19,-24.4,;7.48,-25.76,)| Show InChI InChI=1S/C27H23ClN6O6S2/c1-41(37,38)32-18-4-2-5-19(14-18)42(39,40)33-27(36)25-24(21-6-3-10-31-26(21)35)20-8-7-17(28)13-22(20)34(25)15-16-9-11-30-23(29)12-16/h2-14,32H,15H2,1H3,(H2,29,30)(H,31,35)(H,33,36)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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 Mutant Reverse transcriptase P236L				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
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