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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'k?z?l?rmak' and Initial = 'm'   
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-related protein 11


(Homo sapiens)
BDBM50253872
PNG
(CHEMBL4080604)
Show SMILES [Na+].NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C15H13N5O6S3/c16-28(22,23)9-3-1-8(2-4-9)17-15(27)20-19-13-11-7-10(29(24,25)26)5-6-12(11)18-14(13)21/h1-7H,(H2,16,22,23)(H2,17,20,27)(H,18,19,21)(H,24,25,26)/p-1
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1.20n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253871
PNG
(CHEMBL4097126)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5S2/c16-28(25,26)10-4-1-8(2-5-10)17-15(27)20-19-13-11-7-9(21(23)24)3-6-12(11)18-14(13)22/h1-7H,(H2,16,25,26)(H2,17,20,27)(H,18,19,22)
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4.10n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253847
PNG
(CHEMBL4081547)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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4.5n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
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



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253842
PNG
(CHEMBL4070963)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=S)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C16H15N5O3S2/c1-9-2-7-13-12(8-9)14(15(22)19-13)20-21-16(25)18-10-3-5-11(6-4-10)26(17,23)24/h2-8H,1H3,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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5.70n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253848
PNG
(CHEMBL4061260)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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5.80n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253851
PNG
(CHEMBL4069928)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C15H12IN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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5.90n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253878
PNG
(CHEMBL4099555)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C16H12F3N5O4S2/c17-16(18,19)28-9-3-6-12-11(7-9)13(14(25)22-12)23-24-15(29)21-8-1-4-10(5-2-8)30(20,26)27/h1-7H,(H2,20,26,27)(H2,21,24,29)(H,22,23,25)
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6n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253875
PNG
(CHEMBL4089415)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C15H12BrN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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6.10n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253876
PNG
(CHEMBL4064015)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1
Show InChI InChI=1S/C15H11Br2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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6.30n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253841
PNG
(CHEMBL4091812)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H13N5O3S2/c16-25(22,23)10-7-5-9(6-8-10)17-15(24)20-19-13-11-3-1-2-4-12(11)18-14(13)21/h1-8H,(H2,16,22,23)(H2,17,20,24)(H,18,19,21)
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6.90n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
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



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253873
PNG
(CHEMBL4072614)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3Cl)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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13n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253851
PNG
(CHEMBL4069928)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C15H12IN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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17n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253871
PNG
(CHEMBL4097126)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5S2/c16-28(25,26)10-4-1-8(2-5-10)17-15(27)20-19-13-11-7-9(21(23)24)3-6-12(11)18-14(13)22/h1-7H,(H2,16,25,26)(H2,17,20,27)(H,18,19,22)
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20n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253874
PNG
(CHEMBL4093328)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Cl)cc3Cl)cc1
Show InChI InChI=1S/C15H11Cl2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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21n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253877
PNG
(CHEMBL4104834)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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21n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
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



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253877
PNG
(CHEMBL4104834)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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27n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253871
PNG
(CHEMBL4097126)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5S2/c16-28(25,26)10-4-1-8(2-5-10)17-15(27)20-19-13-11-7-9(21(23)24)3-6-12(11)18-14(13)22/h1-7H,(H2,16,25,26)(H2,17,20,27)(H,18,19,22)
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32n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253872
PNG
(CHEMBL4080604)
Show SMILES [Na+].NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C15H13N5O6S3/c16-28(22,23)9-3-1-8(2-4-9)17-15(27)20-19-13-11-7-10(29(24,25)26)5-6-12(11)18-14(13)21/h1-7H,(H2,16,22,23)(H2,17,20,27)(H,18,19,21)(H,24,25,26)/p-1
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34n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253847
PNG
(CHEMBL4081547)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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39n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253878
PNG
(CHEMBL4099555)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C16H12F3N5O4S2/c17-16(18,19)28-9-3-6-12-11(7-9)13(14(25)22-12)23-24-15(29)21-8-1-4-10(5-2-8)30(20,26)27/h1-7H,(H2,20,26,27)(H2,21,24,29)(H,22,23,25)
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46n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253877
PNG
(CHEMBL4104834)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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46n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253848
PNG
(CHEMBL4061260)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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54n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253877
PNG
(CHEMBL4104834)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3F)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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58n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253876
PNG
(CHEMBL4064015)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1
Show InChI InChI=1S/C15H11Br2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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58n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253842
PNG
(CHEMBL4070963)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=S)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C16H15N5O3S2/c1-9-2-7-13-12(8-9)14(15(22)19-13)20-21-16(25)18-10-3-5-11(6-4-10)26(17,23)24/h2-8H,1H3,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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62n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253875
PNG
(CHEMBL4089415)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C15H12BrN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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65n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50253841
PNG
(CHEMBL4091812)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H13N5O3S2/c16-25(22,23)10-7-5-9(6-8-10)17-15(24)20-19-13-11-3-1-2-4-12(11)18-14(13)21/h1-8H,(H2,16,22,23)(H2,17,20,24)(H,18,19,21)
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66n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253871
PNG
(CHEMBL4097126)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5S2/c16-28(25,26)10-4-1-8(2-5-10)17-15(27)20-19-13-11-7-9(21(23)24)3-6-12(11)18-14(13)22/h1-7H,(H2,16,25,26)(H2,17,20,27)(H,18,19,22)
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69n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253873
PNG
(CHEMBL4072614)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3Cl)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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76n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253874
PNG
(CHEMBL4093328)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Cl)cc3Cl)cc1
Show InChI InChI=1S/C15H11Cl2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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82n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase-related protein 11


(Homo sapiens)
BDBM50253873
PNG
(CHEMBL4072614)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3Cl)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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87n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
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



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253851
PNG
(CHEMBL4069928)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C15H12IN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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399n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253878
PNG
(CHEMBL4099555)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C16H12F3N5O4S2/c17-16(18,19)28-9-3-6-12-11(7-9)13(14(25)22-12)23-24-15(29)21-8-1-4-10(5-2-8)30(20,26)27/h1-7H,(H2,20,26,27)(H2,21,24,29)(H,22,23,25)
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420n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253873
PNG
(CHEMBL4072614)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cccc3Cl)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-11-3-1-2-10-12(11)19-14(22)13(10)20-21-15(25)18-8-4-6-9(7-5-8)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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426n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253878
PNG
(CHEMBL4099555)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C16H12F3N5O4S2/c17-16(18,19)28-9-3-6-12-11(7-9)13(14(25)22-12)23-24-15(29)21-8-1-4-10(5-2-8)30(20,26)27/h1-7H,(H2,20,26,27)(H2,21,24,29)(H,22,23,25)
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481n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253847
PNG
(CHEMBL4081547)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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551n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253874
PNG
(CHEMBL4093328)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Cl)cc3Cl)cc1
Show InChI InChI=1S/C15H11Cl2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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PubMed
554n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253847
PNG
(CHEMBL4081547)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C15H12FN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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PubMed
558n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253848
PNG
(CHEMBL4061260)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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PubMed
616n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253851
PNG
(CHEMBL4069928)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C15H12IN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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624n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253848
PNG
(CHEMBL4061260)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(25)18-9-2-4-10(5-3-9)26(17,23)24/h1-7H,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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650n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253876
PNG
(CHEMBL4064015)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1
Show InChI InChI=1S/C15H11Br2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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687n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253876
PNG
(CHEMBL4064015)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Br)cc3Br)cc1
Show InChI InChI=1S/C15H11Br2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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698n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253842
PNG
(CHEMBL4070963)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=S)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C16H15N5O3S2/c1-9-2-7-13-12(8-9)14(15(22)19-13)20-21-16(25)18-10-3-5-11(6-4-10)26(17,23)24/h2-8H,1H3,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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735n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50253842
PNG
(CHEMBL4070963)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=S)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C16H15N5O3S2/c1-9-2-7-13-12(8-9)14(15(22)19-13)20-21-16(25)18-10-3-5-11(6-4-10)26(17,23)24/h2-8H,1H3,(H2,17,23,24)(H2,18,21,25)(H,19,20,22)
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PubMed
744n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50253874
PNG
(CHEMBL4093328)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3c2cc(Cl)cc3Cl)cc1
Show InChI InChI=1S/C15H11Cl2N5O3S2/c16-7-5-10-12(11(17)6-7)20-14(23)13(10)21-22-15(26)19-8-1-3-9(4-2-8)27(18,24)25/h1-6H,(H2,18,24,25)(H2,19,22,26)(H,20,21,23)
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PubMed
782n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...


Bioorg Med Chem 25: 3714-3718 (2017)


Article DOI: 10.1016/j.bmc.2017.05.029
BindingDB Entry DOI: 10.7270/Q2Z03BMN
More data for this
Ligand-Target Pair
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