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Compile Data Set for Download or QSAR

Found 624 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase XIV'   
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 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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n/an/a 48n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 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 XIV


(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 70n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
BDBM50442513
PNG
(CHEMBL2440436)
Show SMILES OP(O)(=O)C(Nc1cccc(F)c1)P(O)(O)=O
Show InChI InChI=1S/C7H10FNO6P2/c8-5-2-1-3-6(4-5)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 82n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 82n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 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 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 92n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
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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n/an/a 224n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 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 XIV


(Homo sapiens (human))
BDBM50138040
PNG
((biphenyl-3-ylamino)methylenediphosphonic acid | B...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)14-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
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n/an/a 309n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50442507
PNG
(CHEMBL2440429)
Show SMILES OP(O)(=O)C(Nc1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C11H13NO6P2/c13-19(14,15)11(20(16,17)18)12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 319n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 516n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 541n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 593n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 729n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
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 780n/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


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


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


(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 898n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
BDBM50173799
PNG
((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)
Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O
Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)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 911n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 2.44E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 3.31E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
BDBM50442509
PNG
(CHEMBL2440431)
Show SMILES OP(O)(=O)C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)P(O)(O)=O
Show InChI InChI=1S/C13H14ClNO7P2/c14-9-1-5-11(6-2-9)22-12-7-3-10(4-8-12)15-13(23(16,17)18)24(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
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n/an/a 4.42E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50442510
PNG
(CHEMBL2440430)
Show SMILES OP(O)(=O)C(Nc1ccc(Oc2ccccc2)cc1)P(O)(O)=O
Show InChI InChI=1S/C13H15NO7P2/c15-22(16,17)13(23(18,19)20)14-10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 6.05E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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 6.05E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
BDBM50442508
PNG
(CHEMBL2440432)
Show SMILES OP(O)(=O)C(Nc1ccc(Oc2ccc(Br)cc2)cc1)P(O)(O)=O
Show InChI InChI=1S/C13H14BrNO7P2/c14-9-1-5-11(6-2-9)22-12-7-3-10(4-8-12)15-13(23(16,17)18)24(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
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n/an/a 6.12E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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 6.59E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(Homo sapiens (human))
BDBM50165966
PNG
(CHEMBL191613 | [(2,4-Dichloro-phenylamino)-phospho...)
Show SMILES OP(O)(=O)C(Nc1ccc(Cl)cc1Cl)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-4-1-2-6(5(9)3-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 7.46E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50442512
PNG
(CHEMBL2440433)
Show SMILES OP(O)(=O)C(Nc1ccc(Cl)c(Cl)c1)P(O)(O)=O
Show InChI InChI=1S/C7H9Cl2NO6P2/c8-5-2-1-4(3-6(5)9)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 7.84E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50138035
PNG
((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...)
Show SMILES OP(O)(=O)C(Nc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)14-12-8-6-11(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 8.21E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50442511
PNG
(CHEMBL2440434)
Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)
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n/an/a 8.81E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(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>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method


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


(Homo sapiens (human))
BDBM50133408
PNG
(CHEMBL3632844)
Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
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0.260n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133390
PNG
(CHEMBL3632826)
Show SMILES CC(C)(C)OC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19NO4S/c1-17(2,3)22-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)23(18,20)21/h4-11H,1-3H3,(H2,18,20,21)
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0.340n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133394
PNG
(CHEMBL3632830)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18)
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0.410n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133400
PNG
(CHEMBL3632836)
Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26)
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0.420n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50155550
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-ben...)
Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C16H12F4N2O3S/c17-11-6-12(18)15(20)13(14(11)19)16(23)22-9-3-7-1-2-10(26(21,24)25)5-8(7)4-9/h1-2,5-6,9H,3-4H2,(H,22,23)(H2,21,24,25)
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0.470n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50133409
PNG
(CHEMBL3632845)
Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)
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0.670n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133389
PNG
(CHEMBL3632825)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13NO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3,(H2,15,17,18)
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0.670n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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0.690n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133391
PNG
(CHEMBL3632827)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H11NO4S/c14-19(17,18)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
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0.75n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133397
PNG
(CHEMBL3632833)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1/C19H17NO3S/c20-24(22,23)18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,19,21H,(H2,20,22,23)
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0.770n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50133404
PNG
(CHEMBL3632840)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)
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0.830n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)

More data for this
Ligand-Target Pair
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