Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50476687'   

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)	BDBM50476687 (CHEMBL231473) Show SMILES COc1c(C)cc(cc1C(=O)SC)C(=C\CCCc1nnc(C)o1)\c1ccc(cc1)C#N Show InChI InChI=1S/C25H25N3O3S/c1-16-13-20(14-22(24(16)30-3)25(29)32-4)21(19-11-9-18(15-26)10-12-19)7-5-6-8-23-28-27-17(2)31-23/h7,9-14H,5-6,8H2,1-4H3/b21-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				J Med Chem 50: 4854-67 (2007) Article DOI: 10.1021/jm070382k BindingDB Entry DOI: 10.7270/Q2N58Q4R
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