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SMILES: NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1

InChI Key: InChIKey=DBESSYOOZDFQBR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50504958   
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 9


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 0.0300n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fl...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 0.0800n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 2n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant f...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 17n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 33n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 56n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 5.80n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 440n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 0.340n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 0.200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 22n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 1.30E+4n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 7.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 2.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 4n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a>2.00E+5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 99n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 0.530n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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n/an/an/a 16n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
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UniChem
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n/an/an/a 3.30E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
PDB
MMDB

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PC sid
UniChem
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n/an/an/a 400n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504958
PNG
(CHEMBL4469236)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.690n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
More data for this
Ligand-Target Pair