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Compile Data Set for Download or QSAR

Found 74 hits of ic50 data for polymerid = 1363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
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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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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM237337
PNG
(N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
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n/an/a 517n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
BindingDB Entry DOI: 10.7270/Q2Z89B9N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM237336
PNG
(4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1))
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)
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n/an/a 645n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
BindingDB Entry DOI: 10.7270/Q2Z89B9N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM237338
PNG
(N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...)
Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)
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n/an/a 737n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
BindingDB Entry DOI: 10.7270/Q2Z89B9N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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n/an/a 6.20E+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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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n/an/a 6.40E+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


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
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