Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50459817'   

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)	BDBM50459817 (CHEMBL4211088) Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#N)c(=O)[nH]c1=O Show InChI InChI=1S/C12H18N3O13P3/c1-7-4-15(11(18)14-10(7)17)8-2-9(16)12(3-8,5-13)6-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,8-9,16H,2-3,6H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
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