Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478046'   

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)	BDBM50478046 (CHEMBL202663 | GW3011) Show SMILES Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H23ClF4N2O6S/c1-15-9-20(38-7-2-8-40(32,36)37)4-5-22(15)33-24(34)14-39-23-6-3-18(27)13-21(23)25(35)16-10-17(26(29,30)31)12-19(28)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,33,34)(H2,32,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay				Bioorg Med Chem Lett 18: 1181-94 (2008) Article DOI: 10.1016/j.bmcl.2007.11.134 BindingDB Entry DOI: 10.7270/Q2NS0XPK
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