BDBM98100 1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)urea::Compound ID 7{3,3}
SMILES: CCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
InChI Key: InChIKey=MYVQLPLMGNSYIG-UHFFFAOYSA-N
Data: 2 IC50
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) | BDBM98100 (1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(2-ni...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.50E+5 | 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) | BDBM98100 (1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(2-ni...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | 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 |