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Compile Data Set for Download or QSAR

Found 860 hits with Last Name = 'tanc' 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


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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0.540n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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0.810n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233535
PNG
(CHEMBL4086787)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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0.970n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233544
PNG
(CHEMBL4065358)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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0.990n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130745
PNG
(CHEMBL3633555)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19)
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1.10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233542
PNG
(CHEMBL4070958)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1ccc(OC)c(OC)c1 |r|
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1.10n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233537
PNG
(CHEMBL4062330)
Show SMILES COc1ccc(C[C@@H]2C[C@@H]2C(O)=O)cc1OC |r|
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1.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233541
PNG
(CHEMBL4103210)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)cc1Br |r|
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1.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233594
PNG
(CHEMBL4060739)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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1.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087044
PNG
(CHEMBL3426540)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)
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2.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233535
PNG
(CHEMBL4086787)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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2.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233596
PNG
(CHEMBL4068066)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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2.30n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087051
PNG
(CHEMBL3426533)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)
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2.40n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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2.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233536
PNG
(CHEMBL4090334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1ccc(OC)c(OC)c1 |r|
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2.60n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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2.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233543
PNG
(CHEMBL4089410)
Show SMILES COc1ccc(C[C@H]2C[C@H]2CO)cc1OC |r|
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2.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233549
PNG
(CHEMBL4092055)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)cc1OC |r|
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2.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233593
PNG
(CHEMBL4069416)
Show SMILES COc1c(Br)c(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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3.10n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50085926
PNG
(CHEMBL3425587)
Show SMILES CSC(=S)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H9NO2S3/c1-13-8(12)9-14(10,11)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,12)
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 10 hrs by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 292-5 (2015)


Article DOI: 10.1021/ml500470b
BindingDB Entry DOI: 10.7270/Q2ZC84KD
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233547
PNG
(CHEMBL4095455)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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3.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130741
PNG
(CHEMBL3633551)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087053
PNG
(CHEMBL3426531)
Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15|
Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)
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3.20n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233545
PNG
(CHEMBL4105642)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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3.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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3.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50144806
PNG
(7-Chloro-3-hydroxy-1H-quinazoline-2,4-dione | 7-ch...)
Show SMILES On1c(=O)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C8H5ClN2O3/c9-4-1-2-5-6(3-4)10-8(13)11(14)7(5)12/h1-3,14H,(H,10,13)
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 6428-6439 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00766
BindingDB Entry DOI: 10.7270/Q2GT5QG3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233595
PNG
(CHEMBL4082617)
Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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3.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065655
PNG
(CHEMBL3402840)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H
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3.5n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
BindingDB Entry DOI: 10.7270/Q2W66NFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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3.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087054
PNG
(CHEMBL3426530)
Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)
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3.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065653
PNG
(CHEMBL3402842)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H
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3.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
BindingDB Entry DOI: 10.7270/Q2W66NFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233551
PNG
(CHEMBL4099098)
Show SMILES COc1c(Br)c(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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3.70n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50130737
PNG
(CHEMBL3633547)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33)
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3.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233550
PNG
(CHEMBL4063516)
Show SMILES COc1cc(C[C@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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3.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087048
PNG
(CHEMBL3426536)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
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4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233546
PNG
(CHEMBL4087756)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)cc1Br |r|
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4.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130751
PNG
(CHEMBL3633383)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32)
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4.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233596
PNG
(CHEMBL4068066)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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4.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50085926
PNG
(CHEMBL3425587)
Show SMILES CSC(=S)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H9NO2S3/c1-13-8(12)9-14(10,11)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,12)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 8 hrs by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 292-5 (2015)


Article DOI: 10.1021/ml500470b
BindingDB Entry DOI: 10.7270/Q2ZC84KD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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4.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233547
PNG
(CHEMBL4095455)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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4.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233594
PNG
(CHEMBL4060739)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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4.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50065659
PNG
(CHEMBL3402836)
Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H
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4.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
BindingDB Entry DOI: 10.7270/Q2W66NFQ
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50238777
PNG
(CHEMBL4096515)
Show SMILES On1c(=O)[nH]c2ccc(cc2c1=O)[N+]([O-])=O
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4.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 6428-6439 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00766
BindingDB Entry DOI: 10.7270/Q2GT5QG3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50130752
PNG
(CHEMBL3633384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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4.60n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50130750
PNG
(CHEMBL3633382)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)
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4.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
PDB
MMDB

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KEGG

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AffyNet 
CHEMBL
PC cid
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UniChem
PubMed
4.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
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