Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478040'   

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)	BDBM50478040 (CHEMBL198347) Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O)C#N Show InChI InChI=1S/C24H20ClN3O5S/c1-14-7-16(12-26)10-17(8-14)24(30)20-11-18(25)3-6-22(20)33-13-23(29)28-21-5-4-19(9-15(21)2)34(27,31)32/h3-11H,13H2,1-2H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.891	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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