Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478028'   

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)	BDBM50478028 (CHEMBL198398) Show SMILES Cc1cc(ncc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C22H16Cl2N4O5S/c1-12-4-21(34(26,31)32)27-10-18(12)28-20(29)11-33-19-3-2-15(23)8-17(19)22(30)14-5-13(9-25)6-16(24)7-14/h2-8,10H,11H2,1H3,(H,28,29)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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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