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BDBM50429930 CHEMBL2333821

SMILES: COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O

InChI Key: InChIKey=PCSNAVTZVOVIFE-UHFFFAOYSA-N

Data: 2 KI

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 = 50429930   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.34E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair