Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50492153'   

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)	BDBM50492153 (CHEMBL2397563) Show SMILES Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C28H27N7O3/c1-16-31-22-12-17(6-7-23(22)34(16)3)24-26-25(35(28(36)32-24)9-8-20-5-4-10-37-20)21-11-18(13-29-27(21)38-26)19-14-30-33(2)15-19/h6-7,11-15,20H,4-5,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	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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