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Compile Data Set for Download or QSAR

Found 2444 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase XII'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Homo sapiens (human))
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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n/an/a 60n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 61n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018626
PNG
(CHEMBL3291002)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C7H10BrNO8P2S/c8-5-1-3-6(4-2-5)20(16,17)9-7(18(10,11)12)19(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 62n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018670
PNG
(CHEMBL3291013)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C13H14N2O10P2S/c16-15(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)28(24,25)14-13(26(18,19)20)27(21,22)23/h1-8,13-14H,(H2,18,19,20)(H2,21,22,23)
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n/an/a 65n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018669
PNG
(CHEMBL3291012)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 76n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442515
PNG
(CHEMBL2440438)
Show SMILES Oc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C7H11NO7P2/c9-6-3-1-5(2-4-6)8-7(16(10,11)12)17(13,14)15/h1-4,7-9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 78n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018663
PNG
(CHEMBL3291010)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1cccs1)P(O)(O)=O
Show InChI InChI=1S/C11H13NO8P2S2/c13-21(14,15)11(22(16,17)18)12-24(19,20)9-5-3-8(4-6-9)10-2-1-7-23-10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 87n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50173796
PNG
(CHEMBL450938 | [(3-nitro-phenylamino)-phosphono-me...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-2-5(4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 88n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 88n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442517
PNG
(CHEMBL2440440)
Show SMILES OP(O)(=O)C(Nc1ccc(cc1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-1-3-6(4-2-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 89n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 92n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018645
PNG
(CHEMBL3291007)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O10P2S/c10-9(11)5-1-3-6(4-2-5)22(18,19)8-7(20(12,13)14)21(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 92n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046171
PNG
(CHEMBL362436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a 174n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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n/an/a 179n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018629
PNG
(CHEMBL3291004)
Show SMILES OP(O)(=O)C(P(O)(O)=O)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C7H9BrO8P2S/c8-5-1-3-6(4-2-5)19(15,16)7(17(9,10)11)18(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 225n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/a 226n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442520
PNG
(CHEMBL2440441)
Show SMILES OP(O)(=O)C(Nc1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C7H10BrNO6P2/c8-5-1-3-6(4-2-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 239n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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n/an/a 248n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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n/an/a 255n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 266n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442522
PNG
(CHEMBL2440581)
Show SMILES OP(O)(=O)C(Nc1ccc(F)cc1)P(O)(O)=O
Show InChI InChI=1S/C7H10FNO6P2/c8-5-1-3-6(4-2-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 269n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
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n/an/a 278n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12578
PNG
(Bisphosphonate 3 | CHEMBL924 | JMC515594 Compound ...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 316n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12578
PNG
(Bisphosphonate 3 | CHEMBL924 | JMC515594 Compound ...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 316n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442518
PNG
(CHEMBL2440439)
Show SMILES Cc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C8H13NO6P2/c1-6-2-4-7(5-3-6)9-8(16(10,11)12)17(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 350n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018641
PNG
(CHEMBL3291006)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H13NO9P2S/c1-18-6-2-4-7(5-3-6)21(16,17)9-8(19(10,11)12)20(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 376n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018659
PNG
(CHEMBL3291009)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
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n/an/a 386n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442519
PNG
(CHEMBL2440578)
Show SMILES OP(O)(=O)C(Nc1ccc(cc1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-5(2-4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 419n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50442523
PNG
(CHEMBL2440580)
Show SMILES OP(O)(=O)C(Nc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 437n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018630
PNG
(CHEMBL3291005)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H13NO8P2S/c1-6-2-4-7(5-3-6)20(16,17)9-8(18(10,11)12)19(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 461n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018625
PNG
(CHEMBL3291001)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C7H10ClNO8P2S/c8-5-1-3-6(4-2-5)20(16,17)9-7(18(10,11)12)19(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 464n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018668
PNG
(CHEMBL3291011)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C13H14ClNO8P2S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26(22,23)15-13(24(16,17)18)25(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
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n/an/a 476n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
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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n/an/a 490n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 assessed as 4-nitrophenyl acetate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50296250
PNG
((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...)
Show SMILES COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C
Show InChI InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018655
PNG
(CHEMBL3291008)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O10P2S/c10-9(11)5-2-1-3-6(4-5)22(18,19)8-7(20(12,13)14)21(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 794n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50018610
PNG
(CHEMBL3291000)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H11NO8P2S/c9-17(10,11)7(18(12,13)14)8-19(15,16)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14)
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n/an/a 855n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
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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n/an/a 1.05E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 assessed as 4-nitrophenyl phosphate hydrolysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM24514
PNG
(4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396800
PNG
(CHEMBL2172749)
Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC
Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)
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n/an/a 2.72E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046165
PNG
(CHEMBL1621411)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 4.65E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396798
PNG
(CHEMBL1801472)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C7H15N2O4P/c10-7(14(11,12)13)8-3-6-9-4-1-2-5-9/h1-6H2,(H,8,10)(H2,11,12,13)
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n/an/a 5.43E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 5.59E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


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More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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n/an/a 5.70E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396796
PNG
(CHEMBL2172751)
Show SMILES N[C@@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50396801
PNG
(CHEMBL2172748)
Show SMILES OP(O)(=O)C(=O)NCCCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14N2O8P2/c9-5(17(11,12)13)7-3-1-2-4-8-6(10)18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a 6.02E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


Citation and Details
More data for this
Ligand-Target Pair
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