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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'rankin' and Initial = 'gm'   
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 12


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O
Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50118192
PNG
(CHEMBL3613286)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O
Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028267
PNG
(CHEMBL3342250)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O
Show InChI InChI=1S/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50108106
PNG
(CHEMBL3601602)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-7 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50118208
PNG
(CHEMBL3613283)
Show SMILES CC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C27H29N4O13PS/c1-15(32)40-24-23(14-39-45(35)38-13-19-6-4-5-7-22(19)44-45)43-27(26(42-17(3)34)25(24)41-16(2)33)31-12-21(29-30-31)18-8-10-20(11-9-18)46(28,36)37/h4-12,23-27H,13-14H2,1-3H3,(H2,28,36,37)/t23-,24-,25+,26-,27-,45?/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494688
PNG
(CHEMBL3092819)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494688
PNG
(CHEMBL3092819)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-12 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
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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6n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50118207
PNG
(CHEMBL3613284)
Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494691
PNG
(CHEMBL3092812)
Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50372662
PNG
(CHEMBL272877)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11+,12+,13-,14-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494697
PNG
(CHEMBL3092818)
Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C30H42N4O11S/c1-5-9-23(35)41-18-22-27(43-24(36)10-6-2)28(44-25(37)11-7-3)29(45-26(38)12-8-4)30(42-22)34-17-21(32-33-34)19-13-15-20(16-14-19)46(31,39)40/h13-17,22,27-30H,5-12,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494695
PNG
(CHEMBL3092943)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494684
PNG
(CHEMBL3092811)
Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494688
PNG
(CHEMBL3092819)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50372668
PNG
(CHEMBL437092)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19+,20+,21-,22-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50108106
PNG
(CHEMBL3601602)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1
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9n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50372672
PNG
(CHEMBL269852)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21-,22-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372663
PNG
(CHEMBL270990)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11-,12+,13-,14-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494697
PNG
(CHEMBL3092818)
Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C30H42N4O11S/c1-5-9-23(35)41-18-22-27(43-24(36)10-6-2)28(44-25(37)11-7-3)29(45-26(38)12-8-4)30(42-22)34-17-21(32-33-34)19-13-15-20(16-14-19)46(31,39)40/h13-17,22,27-30H,5-12,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372668
PNG
(CHEMBL437092)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19+,20+,21-,22-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108106
PNG
(CHEMBL3601602)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494688
PNG
(CHEMBL3092819)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1
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11n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(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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11n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-6 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
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



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372668
PNG
(CHEMBL437092)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19+,20+,21-,22-/m1/s1
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16n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494692
PNG
(CHEMBL3092816)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)13-27(39)45-18-26-31(47-28(40)14-20(3)4)32(48-29(41)15-21(5)6)33(49-30(42)16-22(7)8)34(46-26)38-17-25(36-37-38)23-9-11-24(12-10-23)50(35,43)44/h9-12,17,19-22,26,31-34H,13-16,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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16n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(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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17n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-13 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372662
PNG
(CHEMBL272877)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11+,12+,13-,14-/m1/s1
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20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494692
PNG
(CHEMBL3092816)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)13-27(39)45-18-26-31(47-28(40)14-20(3)4)32(48-29(41)15-21(5)6)33(49-30(42)16-22(7)8)34(46-26)38-17-25(36-37-38)23-9-11-24(12-10-23)50(35,43)44/h9-12,17,19-22,26,31-34H,13-16,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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23n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494694
PNG
(CHEMBL3092939)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-2-7(4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11-,12+,13-,14-/m1/s1
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24n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

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



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 58: 6630-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00845
BindingDB Entry DOI: 10.7270/Q24F1SHZ
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494687
PNG
(CHEMBL3092810)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)12-27(39)45-18-26-31(47-28(40)13-20(3)4)32(48-29(41)14-21(5)6)33(49-30(42)15-22(7)8)34(46-26)38-17-25(36-37-38)23-10-9-11-24(16-23)50(35,43)44/h9-11,16-17,19-22,26,31-34H,12-15,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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25n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-9 (unknown origin)


J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494699
PNG
(CHEMBL1232090)
Show SMILES NS(=O)(=O)c1cccc(c1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494703
PNG
(CHEMBL3092817)
Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-5-9-13-27(39)45-22-26-31(47-28(40)14-10-6-2)32(48-29(41)15-11-7-3)33(49-30(42)16-12-8-4)34(46-26)38-21-25(36-37-38)23-17-19-24(20-18-23)50(35,43)44/h17-21,26,31-34H,5-16,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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31n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494687
PNG
(CHEMBL3092810)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)12-27(39)45-18-26-31(47-28(40)13-20(3)4)32(48-29(41)14-21(5)6)33(49-30(42)15-22(7)8)34(46-26)38-17-25(36-37-38)23-10-9-11-24(16-23)50(35,43)44/h9-11,16-17,19-22,26,31-34H,12-15,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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31n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494698
PNG
(CHEMBL3092815)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-2-7(4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11+,12+,13-,14-/m1/s1
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35n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494697
PNG
(CHEMBL3092818)
Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C30H42N4O11S/c1-5-9-23(35)41-18-22-27(43-24(36)10-6-2)28(44-25(37)11-7-3)29(45-26(38)12-8-4)30(42-22)34-17-21(32-33-34)19-13-15-20(16-14-19)46(31,39)40/h13-17,22,27-30H,5-12,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1
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36n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372662
PNG
(CHEMBL272877)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11+,12+,13-,14-/m1/s1
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36n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50494692
PNG
(CHEMBL3092816)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)13-27(39)45-18-26-31(47-28(40)14-20(3)4)32(48-29(41)15-21(5)6)33(49-30(42)16-22(7)8)34(46-26)38-17-25(36-37-38)23-9-11-24(12-10-23)50(35,43)44/h9-12,17,19-22,26,31-34H,13-16,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1
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38n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50372663
PNG
(CHEMBL270990)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11-,12+,13-,14-/m1/s1
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40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50494702
PNG
(CHEMBL3092940)
Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H50N4O11S/c1-19(2)13-27(39)45-18-26-31(47-28(40)14-20(3)4)32(48-29(41)15-21(5)6)33(49-30(42)16-22(7)8)34(46-26)38-17-25(36-37-38)23-9-11-24(12-10-23)50(35,43)44/h9-12,17,19-22,26,31-34H,13-16,18H2,1-8H3,(H2,35,43,44)/t26-,31-,32+,33-,34-/m1/s1
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40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)

More data for this
Ligand-Target Pair
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