Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50482339'   

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)	BDBM50482339 (CHEMBL1173828) Show SMILES COc1ccc(OCCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:19| Show InChI InChI=1S/C28H28BrN5O6S/c1-38-21-6-8-23(18(14-21)11-12-30-27(41)32-24-9-5-20(29)15-31-24)39-13-3-2-4-19-16-34(28(37)33-26(19)36)25-10-7-22(17-35)40-25/h5-10,14-16,22,25,35H,3,11-13,17H2,1H3,(H,33,36,37)(H2,30,31,32,41)/t22-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel...				Bioorg Med Chem 18: 4661-73 (2010) Article DOI: 10.1016/j.bmc.2010.05.025 BindingDB Entry DOI: 10.7270/Q2NS0XQ1
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