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BDBM50067898 3-(5-(dimethylamino)naphthalene-1-sulfonamido)phenylboronic acid::CHEMBL140740::m(dansylamidophenyl)boronic acid

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O

InChI Key: InChIKey=TYXMKSYBCDTGDU-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50067898   
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
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against alpha-chymotrypsin


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
PDB
MMDB

KEGG

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against AmpC beta-lactamase


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair