Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50062604'   

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 (Human immunodeficiency virus 1)	BDBM50062604 (CHEMBL3397641) Show SMILES COc1ccc(NC(=O)COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1 Show InChI InChI=1S/C20H17N5O3/c1-27-17-8-6-15(7-9-17)23-18(26)13-28-19-10-11-22-20(25-19)24-16-4-2-14(12-21)3-5-16/h2-11H,13H2,1H3,(H,23,26)(H,22,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry				Bioorg Med Chem 23: 624-31 (2015) Article DOI: 10.1016/j.bmc.2014.11.032 BindingDB Entry DOI: 10.7270/Q2FF3V12
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