BDBM50504896 CHEMBL4588838

SMILES COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O

InChI Key InChIKey=AUBRGAXHAIBSRT-UHFFFAOYSA-N

Data  23 Kd

PDB links: 2 PDB IDs match 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 23 hits for monomerid = 50504896   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  1.30nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constan...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  18nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  2nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  96nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.0100nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  6.70nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.900nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.260nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.00500nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  2nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd: >2.00E+5nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.00600nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.0300nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  10nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  250nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constan...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.00800nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  3.30nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  0.0500nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50504896(CHEMBL4588838)
Affinity DataKd:  100nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed