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PubMed code 22370338

Compile data set for download or QSAR
Found 183 hits of Enzyme Inhibition Constant Data   
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))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366063
PNG
(CHEMBL1956769)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366059
PNG
(CHEMBL1956765)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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3.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366076
PNG
(CHEMBL1956750)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
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 human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366074
PNG
(CHEMBL1956748)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366052
PNG
(CHEMBL1956758)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366069
PNG
(CHEMBL1956743)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366065
PNG
(CHEMBL1956771)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/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 cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366058
PNG
(CHEMBL1956764)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366057
PNG
(CHEMBL1956763)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/s1
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7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366069
PNG
(CHEMBL1956743)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1
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7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366053
PNG
(CHEMBL1956759)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1
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7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366069
PNG
(CHEMBL1956743)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366071
PNG
(CHEMBL1956745)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366050
PNG
(CHEMBL1956756)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366072
PNG
(CHEMBL1956746)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366046
PNG
(CHEMBL1956752)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366073
PNG
(CHEMBL1956747)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366050
PNG
(CHEMBL1956756)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/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 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366068
PNG
(CHEMBL1956774)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/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 cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366077
PNG
(CHEMBL1956751)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366070
PNG
(CHEMBL1956744)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366061
PNG
(CHEMBL1956767)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366049
PNG
(CHEMBL1956755)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366070
PNG
(CHEMBL1956744)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366046
PNG
(CHEMBL1956752)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366048
PNG
(CHEMBL1956754)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366049
PNG
(CHEMBL1956755)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366076
PNG
(CHEMBL1956750)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366070
PNG
(CHEMBL1956744)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366063
PNG
(CHEMBL1956769)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366066
PNG
(CHEMBL1956772)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366077
PNG
(CHEMBL1956751)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366055
PNG
(CHEMBL1956761)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11-,12+,13-,14-/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366052
PNG
(CHEMBL1956758)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/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 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366054
PNG
(CHEMBL1956760)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10-,11+,12-,13-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366049
PNG
(CHEMBL1956755)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366060
PNG
(CHEMBL1956766)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9+,10+,11-,13-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366064
PNG
(CHEMBL1956770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11-,12+,13-,14-,15-,16-,18-,19-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366053
PNG
(CHEMBL1956759)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366069
PNG
(CHEMBL1956743)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366066
PNG
(CHEMBL1956772)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366067
PNG
(CHEMBL1956773)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366062
PNG
(CHEMBL1956768)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366061
PNG
(CHEMBL1956767)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366046
PNG
(CHEMBL1956752)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366047
PNG
(CHEMBL1956753)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366060
PNG
(CHEMBL1956766)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9+,10+,11-,13-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366050
PNG
(CHEMBL1956756)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366068
PNG
(CHEMBL1956774)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366070
PNG
(CHEMBL1956744)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366062
PNG
(CHEMBL1956768)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366076
PNG
(CHEMBL1956750)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366049
PNG
(CHEMBL1956755)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366046
PNG
(CHEMBL1956752)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366064
PNG
(CHEMBL1956770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11-,12+,13-,14-,15-,16-,18-,19-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366047
PNG
(CHEMBL1956753)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366055
PNG
(CHEMBL1956761)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11-,12+,13-,14-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366072
PNG
(CHEMBL1956746)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366068
PNG
(CHEMBL1956774)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/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 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366051
PNG
(CHEMBL1956757)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/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 cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366075
PNG
(CHEMBL1956749)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366071
PNG
(CHEMBL1956745)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366075
PNG
(CHEMBL1956749)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19+,20+,21-,22-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366054
PNG
(CHEMBL1956760)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10-,11+,12-,13-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366071
PNG
(CHEMBL1956745)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366052
PNG
(CHEMBL1956758)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366067
PNG
(CHEMBL1956773)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366055
PNG
(CHEMBL1956761)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11-,12+,13-,14-/m1/s1
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9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366067
PNG
(CHEMBL1956773)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
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9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366051
PNG
(CHEMBL1956757)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366048
PNG
(CHEMBL1956754)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/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 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366059
PNG
(CHEMBL1956765)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366055
PNG
(CHEMBL1956761)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11-,12+,13-,14-/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 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366063
PNG
(CHEMBL1956769)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366047
PNG
(CHEMBL1956753)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366061
PNG
(CHEMBL1956767)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366072
PNG
(CHEMBL1956746)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366077
PNG
(CHEMBL1956751)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
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10.1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366059
PNG
(CHEMBL1956765)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/s1
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10.2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366048
PNG
(CHEMBL1956754)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1
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10.2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366072
PNG
(CHEMBL1956746)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366048
PNG
(CHEMBL1956754)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1
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10.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366052
PNG
(CHEMBL1956758)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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10.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366076
PNG
(CHEMBL1956750)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1
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10.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366074
PNG
(CHEMBL1956748)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/s1
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11.9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366062
PNG
(CHEMBL1956768)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
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12.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366067
PNG
(CHEMBL1956773)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
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13.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366054
PNG
(CHEMBL1956760)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10-,11+,12-,13-/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 full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366057
PNG
(CHEMBL1956763)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/s1
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20.1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
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 human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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33n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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37n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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41n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366053
PNG
(CHEMBL1956759)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1
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41n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366066
PNG
(CHEMBL1956772)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
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44n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366073
PNG
(CHEMBL1956747)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/s1
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45.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366051
PNG
(CHEMBL1956757)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
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48.1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366065
PNG
(CHEMBL1956771)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
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55n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366058
PNG
(CHEMBL1956764)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/m1/s1
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60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366065
PNG
(CHEMBL1956771)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
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81n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366049
PNG
(CHEMBL1956755)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1
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100n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366075
PNG
(CHEMBL1956749)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19+,20+,21-,22-/m1/s1
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100n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366067
PNG
(CHEMBL1956773)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13+,14+,15-,16-,17-,18-,19-,20+/m1/s1
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100n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366074
PNG
(CHEMBL1956748)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/s1
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100n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366070
PNG
(CHEMBL1956744)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1
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100n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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103n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366066
PNG
(CHEMBL1956772)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
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105n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366059
PNG
(CHEMBL1956765)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/s1
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108n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366055
PNG
(CHEMBL1956761)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11-,12+,13-,14-/m1/s1
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108n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366064
PNG
(CHEMBL1956770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11-,12+,13-,14-,15-,16-,18-,19-/m1/s1
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109n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366068
PNG
(CHEMBL1956774)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/m1/s1
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110n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366050
PNG
(CHEMBL1956756)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
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110n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366058
PNG
(CHEMBL1956764)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/m1/s1
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111n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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112n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366068
PNG
(CHEMBL1956774)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/m1/s1
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113n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366064
PNG
(CHEMBL1956770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11-,12+,13-,14-,15-,16-,18-,19-/m1/s1
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115n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366060
PNG
(CHEMBL1956766)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9+,10+,11-,13-/m1/s1
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121n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366047
PNG
(CHEMBL1956753)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
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122n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12136
PNG
(4-(hydrazinecarbonyl)benzene-1-sulfonamide | 4-Sul...)
Show SMILES NNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
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124n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366057
PNG
(CHEMBL1956763)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/s1
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125n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366073
PNG
(CHEMBL1956747)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/s1
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126n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366058
PNG
(CHEMBL1956764)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/m1/s1
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129n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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160n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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170n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM12136
PNG
(4-(hydrazinecarbonyl)benzene-1-sulfonamide | 4-Sul...)
Show SMILES NNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
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175n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366057
PNG
(CHEMBL1956763)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/s1
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222n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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240n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366065
PNG
(CHEMBL1956771)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
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258n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366063
PNG
(CHEMBL1956769)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
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271n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366053
PNG
(CHEMBL1956759)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1
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282n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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294n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366075
PNG
(CHEMBL1956749)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19+,20+,21-,22-/m1/s1
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297n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366061
PNG
(CHEMBL1956767)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
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300n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366060
PNG
(CHEMBL1956766)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9+,10+,11-,13-/m1/s1
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344n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366051
PNG
(CHEMBL1956757)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
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362n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366062
PNG
(CHEMBL1956768)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
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376n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366054
PNG
(CHEMBL1956760)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10-,11+,12-,13-/m1/s1
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377n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366050
PNG
(CHEMBL1956756)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
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390n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366075
PNG
(CHEMBL1956749)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19+,20+,21-,22-/m1/s1
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433n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366071
PNG
(CHEMBL1956745)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1
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451n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366073
PNG
(CHEMBL1956747)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/s1
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524n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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525n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366077
PNG
(CHEMBL1956751)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
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539n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50366074
PNG
(CHEMBL1956748)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/s1
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807n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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2.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366048
PNG
(CHEMBL1956754)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1
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2.94E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM12136
PNG
(4-(hydrazinecarbonyl)benzene-1-sulfonamide | 4-Sul...)
Show SMILES NNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
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2.95E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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3.20E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366047
PNG
(CHEMBL1956753)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
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3.72E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366051
PNG
(CHEMBL1956757)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
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3.77E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366072
PNG
(CHEMBL1956746)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/m1/s1
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3.77E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366060
PNG
(CHEMBL1956766)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9+,10+,11-,13-/m1/s1
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4.04E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366066
PNG
(CHEMBL1956772)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m1/s1
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4.06E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366063
PNG
(CHEMBL1956769)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
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4.26E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366046
PNG
(CHEMBL1956752)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
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4.57E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366064
PNG
(CHEMBL1956770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11-,12+,13-,14-,15-,16-,18-,19-/m1/s1
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4.78E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366069
PNG
(CHEMBL1956743)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1
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4.93E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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5.00E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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5.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366071
PNG
(CHEMBL1956745)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1
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5.51E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366059
PNG
(CHEMBL1956765)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/s1
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5.79E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366052
PNG
(CHEMBL1956758)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366077
PNG
(CHEMBL1956751)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
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6.04E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366062
PNG
(CHEMBL1956768)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H31N3O12S2/c21-37(31,32)9-3-1-8(2-4-9)5-22-20(36)23-18-15(29)14(28)17(11(7-25)33-18)35-19-16(30)13(27)12(26)10(6-24)34-19/h1-4,10-19,24-30H,5-7H2,(H2,21,31,32)(H2,22,23,36)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366074
PNG
(CHEMBL1956748)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/s1
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6.34E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366076
PNG
(CHEMBL1956750)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1
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6.41E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366058
PNG
(CHEMBL1956764)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/m1/s1
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6.42E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366073
PNG
(CHEMBL1956747)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/s1
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6.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366057
PNG
(CHEMBL1956763)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/s1
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6.84E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366054
PNG
(CHEMBL1956760)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10-,11+,12-,13-/m1/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366053
PNG
(CHEMBL1956759)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1
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7.68E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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7.88E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366061
PNG
(CHEMBL1956767)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
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7.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366065
PNG
(CHEMBL1956771)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
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7.98E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a