Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50084096'   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50084096 (2-Benzyl-1-(5-bromo-pyridin-2-yl)-3-[2-(2,5-dimeth...) Show SMILES COc1ccc(OC)c(CCNC(SCc2ccccc2)=Nc2ccc(Br)cn2)c1 |w:21.22| Show InChI InChI=1S/C23H24BrN3O2S/c1-28-20-9-10-21(29-2)18(14-20)12-13-25-23(27-22-11-8-19(24)15-26-22)30-16-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase				Bioorg Med Chem Lett 10: 87-90 (2000) BindingDB Entry DOI: 10.7270/Q27080NB
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