Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM16294'   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NAD+				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Burkholderia pseudomallei)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...				Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	311	-37.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Stony Brook University					Assay Description Inhibition constant binding to E-NADH				ACS Chem Biol 4: 221-31 (2009) Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Yersinia pestis (Enterobacteria))	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair