Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478034'   

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)	BDBM50478034 (CHEMBL201526) Show SMILES Cc1cc(NC(=O)CCN2CCOCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C29H28ClF2N3O5/c1-18-12-23(33-27(36)6-7-35-8-10-39-11-9-35)3-4-25(18)34-28(37)17-40-26-5-2-20(30)15-24(26)29(38)19-13-21(31)16-22(32)14-19/h2-5,12-16H,6-11,17H2,1H3,(H,33,36)(H,34,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	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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