BDBM98125 1-(4-nitrophenyl)-3-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]urea::Compound ID 7{1,12}

SMILES: [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)cc1

InChI Key: InChIKey=UZEPBKQMMIAFHJ-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 = 98125   

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) (Bacillus anthracis)	BDBM98125 (1-(4-nitrophenyl)-3-[4-[[3-(trifluoromethyl)phenyl...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-2-1-3-18(12-13)33(31,32)26-16-6-4-14(5-7-16)24-19(28)25-15-8-10-17(11-9-15)27(29)30/h1-12,26H,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	7.5	0
University of Alabama at Birmingham					Assay Description Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...				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
Nicotinamide adenine dinucleotide synthetase (NADs) (Bacillus anthracis)	BDBM98125 (1-(4-nitrophenyl)-3-[4-[[3-(trifluoromethyl)phenyl...) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-2-1-3-18(12-13)33(31,32)26-16-6-4-14(5-7-16)24-19(28)25-15-8-10-17(11-9-15)27(29)30/h1-12,26H,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+5	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