BDBM50244635 CHEMBL4085190

SMILES c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F

InChI Key InChIKey=OLTMJLATLWYQJF-UHFFFAOYSA-N

Data  4 Kd  4 Koff

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50244635   

TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKd:  12nMAssay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as thermodynami...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKd:  1nMAssay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKon:  0.0150M-1s-1Assay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKd:  61nMAssay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as thermodynamic equilibriu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKd:  2nMAssay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKon:  0.0500M-1s-1Assay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate consta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKon:  0.0130M-1s-1Assay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic di...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50244635(CHEMBL4085190)
Affinity DataKon:  0.0440M-1s-1Assay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissociation r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)