Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492151'   

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)	BDBM50492151 (CHEMBL2397588) Show SMILES CCC1(CC(C1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1)OC |(52.36,-18.14,;51.27,-19.22,;51.67,-20.72,;53.19,-20.95,;52.96,-22.47,;51.44,-22.24,;53.87,-23.71,;53.25,-25.13,;51.78,-25.61,;50.44,-24.85,;49.11,-25.62,;49.11,-27.16,;50.44,-27.93,;51.78,-27.16,;53.25,-27.64,;54.17,-26.38,;55.71,-26.22,;56.33,-24.8,;55.42,-23.54,;56.04,-22.13,;56.61,-27.45,;55.99,-28.86,;56.9,-30.1,;58.43,-29.94,;59.34,-31.18,;60.87,-31.01,;59.05,-28.52,;58.14,-27.28,;47.79,-24.84,;46.38,-25.47,;45.35,-24.32,;46.12,-22.99,;45.49,-21.58,;47.62,-23.31,;50.17,-20.31,;49.78,-18.83,)| Show InChI InChI=1S/C26H27N7O3/c1-5-26(35-4)9-18(10-26)33-22-19-8-16(17-13-30-32(3)14-17)12-29-24(19)36-23(22)21(31-25(33)34)15-6-7-20(27-2)28-11-15/h6-8,11-14,18H,5,9-10H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	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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