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SMILES: NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)C(O)=O)cc1

InChI Key: InChIKey=FBYIRGVNCGRCHQ-WOJGMQOQSA-N

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 2 hits for monomerid = 50294021   
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))
BDBM50294021
PNG
(CHEMBL563360 | N-(3-carboxybenzylidene)(4-sulphona...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-6-4-12(5-7-15)8-9-18-11-13-2-1-3-14(10-13)16(19)20/h1-7,10-11H,8-9H2,(H,19,20)(H2,17,21,22)/b18-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
51n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


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


J Med Chem 52: 4853-9 (2009)


Article DOI: 10.1021/jm900449v
BindingDB Entry DOI: 10.7270/Q26M36VH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50294021
PNG
(CHEMBL563360 | N-(3-carboxybenzylidene)(4-sulphona...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-6-4-12(5-7-15)8-9-18-11-13-2-1-3-14(10-13)16(19)20/h1-7,10-11H,8-9H2,(H,19,20)(H2,17,21,22)/b18-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes carbonic anhydrase 1 by CO2 hydration assay


J Med Chem 52: 4853-9 (2009)


Article DOI: 10.1021/jm900449v
BindingDB Entry DOI: 10.7270/Q26M36VH
More data for this
Ligand-Target Pair