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BDBM98089 1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-(4-nitrophenyl)urea::Compound ID 5{1}

SMILES: [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1

InChI Key: InChIKey=SXEBZBGJVDYQAR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 98089   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98089
PNG
(1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-9-16(11-18(17)21)31(29,30)24-14-3-1-12(2-4-14)22-19(26)23-13-5-7-15(8-6-13)25(27)28/h1-11,24H,(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/a7.50



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)
BDBM98089
PNG
(1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-9-16(11-18(17)21)31(29,30)24-14-3-1-12(2-4-14)22-19(26)23-13-5-7-15(8-6-13)25(27)28/h1-11,24H,(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.27E+4n/an/an/an/a8.54



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