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SMILES: COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=WVMBHAOCSXODMK-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 48 hits for monomerid = 50449829   
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 2


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.480n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by f...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.240n/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 7


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.0750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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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 4 (19 to 284 residues) expressed in mammalian expression system in presence of ANS by fluore...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 250n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 1.40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as int...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.270n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 588n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 5.00E+4n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assay


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.360n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells assessed as intrinsic Kd in presence of ANS ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 2.20n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 3.45E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain in pre...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 11n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intr...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 11n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 71n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells in presence of ANS by fluorescent thermal sh...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 63n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.930n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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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 N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 714n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of A...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 810n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent t...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 51n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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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 C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assess...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.0500n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 4 (19 to 284 residues) expressed in mammalian expression system assessed as intrinsic Kd in ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.0400n/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 13


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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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 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 12


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 200n/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 3


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 46n/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 9


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 71n/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 13


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 710n/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 3


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 1.20E+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 6


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.840n/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 1


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 730n/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 7


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.0600n/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 9


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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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 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 5A, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 3.50E+3n/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))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 250n/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 2


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 0.450n/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 12


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 1.20n/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 6


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 590n/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 7


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 11n/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 2


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 63n/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 1


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 5.00E+4n/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 5A, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 36n/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 5B, mitochondrial


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 1.90n/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 14


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
PDB

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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 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 4


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
PDB
MMDB

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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 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 3


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
PDB
MMDB

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UniChem
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n/an/an/a 1.22E+4n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair