BDBM50429907 CHEMBL2333397

SMILES C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F

InChI Key InChIKey=JWHCFABOVLDALW-UHFFFAOYSA-N

Data  5 Kd

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50429907   

TargetCarbonic anhydrase 13(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429907(CHEMBL2333397)
Affinity DataKd:  0.5nMpH: 7.0Assay Description:Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429907(CHEMBL2333397)
Affinity DataKd:  17nMpH: 7.0Assay Description:Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429907(CHEMBL2333397)
Affinity DataKd:  1nMpH: 7.0Assay Description:Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429907(CHEMBL2333397)
Affinity DataKd:  5nMpH: 7.0Assay Description:Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429907(CHEMBL2333397)
Affinity DataKd:  0.0500nMpH: 7.0Assay Description:Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed