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SMILES: O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1

InChI Key: InChIKey=NTJZZKMLOPYFGA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50426709   
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 12


(Homo sapiens (Human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1 |c:20|
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
PDB
MMDB

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Article
PubMed
219n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1 |c:20|
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
PDB
MMDB

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275n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1 |c:20|
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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9.30E+4n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1 |c:20|
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair