Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50071759'   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50071759 (2-({6-[(2-carboxy-4-cyanophenyl)amino]-6-oxohexano...) Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C#N)C#N Show InChI InChI=1S/C22H18N4O6/c23-11-13-5-7-17(15(9-13)21(29)30)25-19(27)3-1-2-4-20(28)26-18-8-6-14(12-24)10-16(18)22(31)32/h5-10H,1-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Center Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL				Bioorg Med Chem Lett 8: 2623-8 (1999) BindingDB Entry DOI: 10.7270/Q2RF5T6F
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50071759 (2-({6-[(2-carboxy-4-cyanophenyl)amino]-6-oxohexano...) Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C#N)C#N Show InChI InChI=1S/C22H18N4O6/c23-11-13-5-7-17(15(9-13)21(29)30)25-19(27)3-1-2-4-20(28)26-18-8-6-14(12-24)10-16(18)22(31)32/h5-10H,1-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Center Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 2623-8 (1999) BindingDB Entry DOI: 10.7270/Q2RF5T6F
					More data for this Ligand-Target Pair