Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478381'   

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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478381 (CHEMBL256111) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
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