Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50479962'   

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 (Human immunodeficiency virus 1)	BDBM50479962 (CHEMBL502566) Show SMILES CC(CS(N)(=O)=O)NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C20H22BrN3O5S2/c1-11-6-12(2)8-15(7-11)31(28,29)19-16-9-14(21)4-5-17(16)24-18(19)20(25)23-13(3)10-30(22,26)27/h4-9,13,24H,10H2,1-3H3,(H,23,25)(H2,22,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universita di Roma Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51				J Med Chem 52: 1922-34 (2009) Article DOI: 10.1021/jm801470b BindingDB Entry DOI: 10.7270/Q27H1NDK
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