BDBM50266798 CHEMBL515932::Compound ID 5833::N-(2-hydroxy-4-nitrophenyl)-2-(4-morpholino-6-(phenylamino)-1,3,5-triazin-2-ylthio)acetamide

SMILES: Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O

InChI Key: InChIKey=ONZDGOPQZWNPHF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50266798   

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
Nicotinamide adenine dinucleotide synthetase (NADs) (Bacillus anthracis)	BDBM50266798 (CHEMBL515932 | Compound ID 5833 | N-(2-hydroxy-4-n...) Show SMILES Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C21H21N7O5S/c29-17-12-15(28(31)32)6-7-16(17)23-18(30)13-34-21-25-19(22-14-4-2-1-3-5-14)24-20(26-21)27-8-10-33-11-9-27/h1-7,12,29H,8-11,13H2,(H,23,30)(H,22,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis NAD synthetase				Bioorg Med Chem Lett 19: 2001-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.034 BindingDB Entry DOI: 10.7270/Q2ST7PQC
					More data for this Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs) (Bacillus anthracis)	BDBM50266798 (CHEMBL515932 | Compound ID 5833 | N-(2-hydroxy-4-n...) Show SMILES Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C21H21N7O5S/c29-17-12-15(28(31)32)6-7-16(17)23-18(30)13-34-21-25-19(22-14-4-2-1-3-5-14)24-20(26-21)27-8-10-33-11-9-27/h1-7,12,29H,8-11,13H2,(H,23,30)(H,22,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83E+4	n/a	n/a	n/a	n/a	8.5	4
University of Alabama at Birmingham					Assay Description Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay				J Comb Chem 11: 617-25 (2009) Article DOI: 10.1021/cc9000357 BindingDB Entry DOI: 10.7270/Q2K35S9C
					More data for this Ligand-Target Pair