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SMILES CCCCn1cc(-c2cc([nH]n2)C(=O)OC)c2ccccc12

InChI Key InChIKey=UXBNVGVJBKZNRH-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50457323   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Sassari

Curated by ChEMBL
LigandPNGBDBM50457323(CHEMBL4207837)copy SMILEScopy InChI
Affinity DataKi:  350nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by pheno...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5K8PPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Sassari

Curated by ChEMBL
LigandPNGBDBM50457323(CHEMBL4207837)copy SMILEScopy InChI
Affinity DataKi:  530nMAssay Description:Inhibition of recombinant human full-length carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5K8PPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University of Sassari

Curated by ChEMBL
LigandPNGBDBM50457323(CHEMBL4207837)copy SMILEScopy InChI
Affinity DataKi:  5.93E+3nMAssay Description:Inhibition of recombinant human full-length carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5K8PPubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Sassari

Curated by ChEMBL
LigandPNGBDBM50457323(CHEMBL4207837)copy SMILEScopy InChI
Affinity DataKi:  7.90E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5K8PPubMed