Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50087999'   

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)	BDBM50087999 (CHEMBL3426956) Show SMILES Cc1ccc(NC(=O)CN2CCC(CC2)Nc2nccc(Oc3c(C)cc(cc3C)C#N)n2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-18-4-6-22(7-5-18)30-24(34)17-33-12-9-23(10-13-33)31-27-29-11-8-25(32-27)35-26-19(2)14-21(16-28)15-20(26)3/h4-8,11,14-15,23H,9-10,12-13,17H2,1-3H3,(H,30,34)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
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