Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50484633'   

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)	BDBM50484633 (CHEMBL1939507) Show SMILES Clc1nn(Cc2n[nH]c3ncccc23)c2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C21H11Cl3N6O/c22-12-6-11(9-25)7-13(8-12)31-19-15(23)3-4-17-18(19)20(24)29-30(17)10-16-14-2-1-5-26-21(14)28-27-16/h1-8H,10H2,(H,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
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