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BDBM50504926 CHEMBL4441818

SMILES: NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O

InChI Key: InChIKey=SPZCGNHTIWEWEO-UHFFFAOYSA-N

Data: 24 Kd

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 24 hits for monomerid = 50504926   
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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 3.80n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 500n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 460n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 40n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 7.80n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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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 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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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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 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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 2.50E+4n/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 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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 5n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 0.710n/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 V


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 4.80n/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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 0.140n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 8.60n/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
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
PDB

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UniChem
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n/an/an/a 0.330n/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 2


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 0.370n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 290n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 0.0900n/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 2


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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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 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 V


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 14n/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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 290n/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 V


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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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 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


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
PDB

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antibodypedia
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n/an/an/a 1.80E+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 V


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
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n/an/an/a 0.110n/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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50504926
PNG
(CHEMBL4441818)
Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)
PDB
MMDB

NCI pathway
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Article
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n/an/an/a 10n/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