Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50479472'   

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)	BDBM50479472 (CHEMBL523972) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4cnccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-5-12(9-23)6-15(7-13)28-20-8-14(1-2-17(20)22)27-11-19-16-3-4-24-10-18(16)25-26-19/h1-8,10H,11H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase K103N mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
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