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Compile Data Set for Download or QSAR

Found 948 hits with Last Name = 'soni' and Initial = 's'   
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 2


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
PDB
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7.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
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



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
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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26n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
PDB
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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
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43n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(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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63n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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74n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
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94n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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111n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
PDB
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133n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
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183n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
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232n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
PDB

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245n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
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



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
PDB
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262n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591297
PNG
(CHEMBL5171860)
Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1
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291n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
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328n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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350n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
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387n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
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659n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591309
PNG
(CHEMBL5193531)
Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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955n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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972n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591308
PNG
(CHEMBL5177166)
Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1
PDB
MMDB

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3.03E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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4.31E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
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4.35E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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4.56E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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4.84E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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4.89E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591310
PNG
(CHEMBL5205289)
Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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5.96E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591307
PNG
(CHEMBL5198237)
Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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6.13E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50591306
PNG
(CHEMBL5206696)
Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O
PDB
MMDB

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6.14E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50591305
PNG
(CHEMBL5191973)
Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1
PDB
MMDB

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8.71E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01192
BindingDB Entry DOI: 10.7270/Q2PG1WQ6
More data for this
Ligand-Target Pair
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