Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50482340'   

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)	BDBM50482340 (CHEMBL1172576) Show SMILES COc1ccc(OCCOCCOCCOCCOCC#Cc2cn([C@@H]3O[C@H](CO)C=C3)c(=O)[nH]c2=O)c(CCNC(=S)Nc2ccc(Br)cn2)c1 |r,c:30| Show InChI InChI=1S/C35H42BrN5O10S/c1-45-28-5-7-30(25(21-28)10-11-37-34(52)39-31-8-4-27(36)22-38-31)50-20-19-49-18-17-48-16-15-47-14-13-46-12-2-3-26-23-41(35(44)40-33(26)43)32-9-6-29(24-42)51-32/h4-9,21-23,29,32,42H,10-20,24H2,1H3,(H,40,43,44)(H2,37,38,39,52)/t29-,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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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