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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'alharbi' and Initial = 'ks'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567601
PNG
(CHEMBL4857595)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567598
PNG
(CHEMBL4853209)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccccc1
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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567599
PNG
(CHEMBL4847847)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(C)cc1
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5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567598
PNG
(CHEMBL4853209)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccccc1
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6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567598
PNG
(CHEMBL4853209)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccccc1
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7.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567599
PNG
(CHEMBL4847847)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(C)cc1
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567596
PNG
(CHEMBL4877641)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567597
PNG
(CHEMBL4860073)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567597
PNG
(CHEMBL4860073)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567601
PNG
(CHEMBL4857595)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567596
PNG
(CHEMBL4877641)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567599
PNG
(CHEMBL4847847)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(C)cc1
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567600
PNG
(CHEMBL4860400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567600
PNG
(CHEMBL4860400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567601
PNG
(CHEMBL4857595)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567597
PNG
(CHEMBL4860073)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567596
PNG
(CHEMBL4877641)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567600
PNG
(CHEMBL4860400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567597
PNG
(CHEMBL4860073)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
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72n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567599
PNG
(CHEMBL4847847)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(C)cc1
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84n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567598
PNG
(CHEMBL4853209)
Show SMILES CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccccc1
PDB
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93n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567600
PNG
(CHEMBL4860400)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
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114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567601
PNG
(CHEMBL4857595)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567596
PNG
(CHEMBL4877641)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
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320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567605
PNG
(CHEMBL4877370)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)C(O)=O
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530n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567605
PNG
(CHEMBL4877370)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)C(O)=O
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720n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567602
PNG
(CHEMBL4856530)
Show SMILES OC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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850n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567602
PNG
(CHEMBL4856530)
Show SMILES OC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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930n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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960n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50567603
PNG
(CHEMBL4862553)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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5.08E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567605
PNG
(CHEMBL4877370)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)C(O)=O
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1.58E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567603
PNG
(CHEMBL4862553)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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1.72E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50567606
PNG
(CHEMBL4851324)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
PDB
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2.95E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567602
PNG
(CHEMBL4856530)
Show SMILES OC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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3.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567605
PNG
(CHEMBL4877370)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)C(O)=O
PDB
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5.57E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50567606
PNG
(CHEMBL4851324)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
PDB
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9.14E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567602
PNG
(CHEMBL4856530)
Show SMILES OC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567603
PNG
(CHEMBL4862553)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567604
PNG
(CHEMBL4866380)
Show SMILES CC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567606
PNG
(CHEMBL4851324)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567607
PNG
(CHEMBL4871675)
Show SMILES CC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567608
PNG
(CHEMBL4858241)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50567609
PNG
(CHEMBL4860944)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)[N+]([O-])=O
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113360
BindingDB Entry DOI: 10.7270/Q2M61Q1S
More data for this
Ligand-Target Pair
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