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BDBM50146673 CHEMBL3764506

SMILES: COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GUHMJKPMFNHUCM-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50146673   
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))
BDBM50146673
PNG
(CHEMBL3764506)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
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Article
PubMed
19n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50146673
PNG
(CHEMBL3764506)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
PDB
MMDB

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Article
PubMed
32n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50146673
PNG
(CHEMBL3764506)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
PDB
MMDB

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Article
PubMed
259n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50146673
PNG
(CHEMBL3764506)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.52E+3n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair