Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492178'   

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)	BDBM50492178 (CHEMBL2397551) Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cscn1 Show InChI InChI=1S/C22H20N6O3S/c1-27-10-14(9-25-27)13-7-16-19-20(31-21(16)23-8-13)18(17-11-32-12-24-17)26-22(29)28(19)5-4-15-3-2-6-30-15/h7-12,15H,2-6H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
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