null

SMILES: COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12

InChI Key: InChIKey=IKXSLMNHQYWJHP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 81362   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81362 (NadD inhibitor 15_11 | US8785499, 15_11) Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12| Show InChI InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81362 (NadD inhibitor 15_11 | US8785499, 15_11) Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12| Show InChI InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM81362 (NadD inhibitor 15_11 | US8785499, 15_11) Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12| Show InChI InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair