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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'elkaeed' and Initial = 'eb'   
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))
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



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
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5.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
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5.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50591866
PNG
(CHEMBL5203184)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccc3ccccc3c2)cc1
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7.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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))
BDBM50591868
PNG
(CHEMBL5195261)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccc2ccccc2c1
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9.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591863
PNG
(CHEMBL5204971)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
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9.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591870
PNG
(CHEMBL5203094)
Show SMILES NS(=O)(=O)c1ccc(NCC\C(=N\CCO)c2ccccc2)cc1
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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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))
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



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591860
PNG
(CHEMBL5201519)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
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14n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
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 12


(Homo sapiens (Human))
BDBM50591863
PNG
(CHEMBL5204971)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
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18n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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 12


(Homo sapiens (Human))
BDBM50591864
PNG
(CHEMBL5183126)
Show SMILES NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
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23n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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
PDB
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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



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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 2


(Homo sapiens (Human))
BDBM50591864
PNG
(CHEMBL5183126)
Show SMILES NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591865
PNG
(CHEMBL5179294)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccccc2)cc1
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27n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591863
PNG
(CHEMBL5204971)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1
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28n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591860
PNG
(CHEMBL5201519)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
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28n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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 9


(Homo sapiens (Human))
BDBM50591868
PNG
(CHEMBL5195261)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccc2ccccc2c1
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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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 9


(Homo sapiens (Human))
BDBM50591862
PNG
(CHEMBL5194070)
Show SMILES NS(=O)(=O)c1cccc(NCCC(=O)c2ccc3ccccc3c2)c1
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591868
PNG
(CHEMBL5195261)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccc2ccccc2c1
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41n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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))
BDBM50591867
PNG
(CHEMBL5190695)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccccc1
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45n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
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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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))
BDBM50591867
PNG
(CHEMBL5190695)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNCCC(=O)c1ccccc1
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48n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591866
PNG
(CHEMBL5203184)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccc3ccccc3c2)cc1
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49n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591866
PNG
(CHEMBL5203184)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccc3ccccc3c2)cc1
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50n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591860
PNG
(CHEMBL5201519)
Show SMILES NS(=O)(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
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52n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50591865
PNG
(CHEMBL5179294)
Show SMILES NS(=O)(=O)c1ccc(NNCCC(=O)c2ccccc2)cc1
PDB
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52n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114412
BindingDB Entry DOI: 10.7270/Q2HM5DDQ
More data for this
Ligand-Target Pair
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