BDBM81360 NadD inhibitor 3_17::US8785499, 3_17

SMILES: Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)Nc1cccc(Cl)c1

InChI Key: InChIKey=KWJACDFDNBCEHS-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 81360   

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 (NadD) (Escherichia coli)	BDBM81360 (NadD inhibitor 3_17 | US8785499, 3_17) Show SMILES Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 (NadD) (Escherichia coli)	BDBM81360 (NadD inhibitor 3_17 | US8785499, 3_17) Show SMILES Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+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
Nicotinate-nucleotide adenylyltransferase (NadD) (Bacillus anthracis)	BDBM81360 (NadD inhibitor 3_17 | US8785499, 3_17) Show SMILES Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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