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SMILES: [O-][S+]1NC(=O)C=C1c1ccccc1

InChI Key: InChIKey=ACHAHAOAGDMQSL-UHFFFAOYSA-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 4 hits for monomerid = 50524465   
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 9


(Homo sapiens (Human))
BDBM50524465
PNG
(CHEMBL4443943)
Show SMILES [O-][S+]1NC(=O)C=C1c1ccccc1 |c:5|
Show InChI InChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
PDB
MMDB

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PC sid
UniChem
Article
PubMed
46n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 175: 40-48 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.072
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50524465
PNG
(CHEMBL4443943)
Show SMILES [O-][S+]1NC(=O)C=C1c1ccccc1 |c:5|
Show InChI InChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
87n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 175: 40-48 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.072
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50524465
PNG
(CHEMBL4443943)
Show SMILES [O-][S+]1NC(=O)C=C1c1ccccc1 |c:5|
Show InChI InChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 175: 40-48 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.072
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50524465
PNG
(CHEMBL4443943)
Show SMILES [O-][S+]1NC(=O)C=C1c1ccccc1 |c:5|
Show InChI InChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 175: 40-48 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.072
More data for this
Ligand-Target Pair