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BDBM12013 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE::CHEMBL302715::N-benzyl-4-sulfamoylbenzamide::SBB

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=CZKNSZUJCJHTTM-UHFFFAOYSA-N

Data: 2 Kd

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12013   
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))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/a 5.60n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)