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BDBM50259131 CHEMBL466517::JNJ-26990990::N-((Benzo[b]thien-3-yl)methyl)sulfamide::N-(1-benzothien-3-ylmethyl)sulfamide

SMILES: NS(=O)(=O)NCc1csc2ccccc12

InChI Key: InChIKey=AWSKBQNOSRREEY-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50259131   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


J Med Chem 52: 3431-40 (2009)


Article DOI: 10.1021/jm900141j
BindingDB Entry DOI: 10.7270/Q24F1QMG
More data for this
Ligand-Target Pair
Sodium channel protein type II alpha subunit


(Rattus norvegicus)
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
PDB
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
PDB
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
PDB

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Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 channel expressed in 0.07 Hz frequency-stimulated HEK cells by whole-cell patch-clamp technique


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair