BDBM81357 NadD inhibitor 3_05::US8785499, 3_05

SMILES: Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl

InChI Key: InChIKey=MMXJAEHFWYZYJK-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 = 81357   

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)	BDBM81357 (NadD inhibitor 3_05 | US8785499, 3_05) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)	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	2.00E+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
Nicotinate-nucleotide adenylyltransferase (NadD) (Escherichia coli)	BDBM81357 (NadD inhibitor 3_05 | US8785499, 3_05) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)	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	2.00E+4	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)	BDBM81357 (NadD inhibitor 3_05 | US8785499, 3_05) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	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