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Compile Data Set for Download or QSAR

Found 1392 hits with Last Name = 'kry?tof' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066007
PNG
(CHEMBL3401462)
Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C20H27N7O3S/c1-4-6-16-18-20(26(3)25-16)24-23-19(22-18)15-13-14(7-8-17(15)30-5-2)31(28,29)27-11-9-21-10-12-27/h7-8,13,21H,4-6,9-12H2,1-3H3
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3.80n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551112
PNG
(CHEMBL4751980)
Show SMILES COc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066008
PNG
(CHEMBL3401465)
Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)
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5.5n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
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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5.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
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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5.80n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551109
PNG
(CHEMBL4790806)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551108
PNG
(CHEMBL4758858)
Show SMILES Cc1ccc(cc1)-c1ccnc2c(\N=N\c3ccc(cc3)S(N)(=O)=O)c(N)nn12
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6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551114
PNG
(CHEMBL4762561)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1cccs1
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7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066006
PNG
(CHEMBL3261395)
Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCO
Show InChI InChI=1S/C16H20N6O4S/c1-4-26-13-6-5-11(27(24,25)17-7-8-23)9-12(13)15-18-14-10(2)21-22(3)16(14)20-19-15/h5-6,9,17,23H,4,7-8H2,1-3H3
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7.30n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504623
PNG
(CHEMBL4517834)
Show SMILES CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H13ClN4O3S/c1-20-13-7-2-9(16)8-12(13)14(15(20)21)19-18-10-3-5-11(6-4-10)24(17,22)23/h2-8,18H,1H3,(H2,17,22,23)/b19-14-
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7.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504620
PNG
(GW280670X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C14H11ClN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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8.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504624
PNG
(CHEMBL4585407)
Show SMILES CCN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H15ClN4O3S/c1-2-21-14-8-3-10(17)9-13(14)15(16(21)22)20-19-11-4-6-12(7-5-11)25(18,23)24/h3-9,19H,2H2,1H3,(H2,18,23,24)/b20-15-
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8.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551117
PNG
(CHEMBL4786073)
Show SMILES Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504621
PNG
(CHEMBL4514789)
Show SMILES CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C15H14N4O3S/c1-19-13-5-3-2-4-12(13)14(15(19)20)18-17-10-6-8-11(9-7-10)23(16,21)22/h2-9,17H,1H3,(H2,16,21,22)/b18-14-
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9.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551103
PNG
(CHEMBL4784840)
Show SMILES Cc1ccc(cc1)-c1cn2nc(N)c(\N=N\c3ccc(cc3)S(N)(=O)=O)c2[nH]1
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9.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50230935
PNG
(CHEMBL4099138)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C19H15FN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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9.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


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


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50343660
PNG
(4-((3,5-diamino-1H-pyrazol-4-yl)diazenyl)benzenesu...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N7O2S/c10-8-7(9(11)16-15-8)14-13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H5,10,11,15,16)/b14-13+
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551117
PNG
(CHEMBL4786073)
Show SMILES Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


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


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504620
PNG
(GW280670X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C14H11ClN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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12n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504625
PNG
(CHEMBL4436853)
Show SMILES CCCN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H17ClN4O3S/c1-2-9-22-15-8-3-11(18)10-14(15)16(17(22)23)21-20-12-4-6-13(7-5-12)26(19,24)25/h3-8,10,20H,2,9H2,1H3,(H2,19,24,25)/b21-16-
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13n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551118
PNG
(CHEMBL4741017)
Show SMILES Nc1nn2c(N)c(C#N)c(nc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551113
PNG
(CHEMBL4790351)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(cc1)[N+]([O-])=O
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551109
PNG
(CHEMBL4790806)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065990
PNG
(CHEMBL3356722)
Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3
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15n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504614
PNG
(CHEMBL4462196)
Show SMILES CCOC(=O)CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H18N4O5S/c1-2-27-16(23)11-22-15-6-4-3-5-14(15)17(18(22)24)21-20-12-7-9-13(10-8-12)28(19,25)26/h3-10,20H,2,11H2,1H3,(H2,19,25,26)/b21-17-
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16n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504619
PNG
(CHEMBL438721)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)17-18-13-11-3-1-2-4-12(11)16-14(13)19/h1-8,17H,(H2,15,20,21)(H,16,18,19)
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16n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504614
PNG
(CHEMBL4462196)
Show SMILES CCOC(=O)CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H18N4O5S/c1-2-27-16(23)11-22-15-6-4-3-5-14(15)17(18(22)24)21-20-12-7-9-13(10-8-12)28(19,25)26/h3-10,20H,2,11H2,1H3,(H2,19,25,26)/b21-17-
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16n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551105
PNG
(CHEMBL4747175)
Show SMILES Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551104
PNG
(CHEMBL4785207)
Show SMILES Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504621
PNG
(CHEMBL4514789)
Show SMILES CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C15H14N4O3S/c1-19-13-5-3-2-4-12(13)14(15(19)20)18-17-10-6-8-11(9-7-10)23(16,21)22/h2-9,17H,1H3,(H2,16,21,22)/b18-14-
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19n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504629
PNG
(CHEMBL4455743)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H17ClN4O3S/c22-15-6-11-19-18(12-15)20(21(27)26(19)13-14-4-2-1-3-5-14)25-24-16-7-9-17(10-8-16)30(23,28)29/h1-12,24H,13H2,(H2,23,28,29)/b25-20-
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20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50343660
PNG
(4-((3,5-diamino-1H-pyrazol-4-yl)diazenyl)benzenesu...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N7O2S/c10-8-7(9(11)16-15-8)14-13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H5,10,11,15,16)/b14-13+
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551105
PNG
(CHEMBL4747175)
Show SMILES Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50551110
PNG
(CHEMBL4798487)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50065998
PNG
(CHEMBL3261389)
Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3
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24n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50202299
PNG
(CHEMBL411491)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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25n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551107
PNG
(CHEMBL4760748)
Show SMILES Nc1nn2c(ccnc2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 23: 1421-9 (2015)


Article DOI: 10.1016/j.bmc.2015.02.026
BindingDB Entry DOI: 10.7270/Q2C82C03
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504622
PNG
(CHEMBL4475897)
Show SMILES CCN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O3S/c1-2-20-14-6-4-3-5-13(14)15(16(20)21)19-18-11-7-9-12(10-8-11)24(17,22)23/h3-10,18H,2H2,1H3,(H2,17,22,23)/b19-15-
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26n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504627
PNG
(CHEMBL4548327)
Show SMILES CCOC(=O)CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN4O5S/c1-2-28-16(24)10-23-15-8-3-11(19)9-14(15)17(18(23)25)22-21-12-4-6-13(7-5-12)29(20,26)27/h3-9,21H,2,10H2,1H3,(H2,20,26,27)/b22-17-
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27n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50504628
PNG
(CHEMBL4552736)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C21H18N4O3S/c22-29(27,28)17-12-10-16(11-13-17)23-24-20-18-8-4-5-9-19(18)25(21(20)26)14-15-6-2-1-3-7-15/h1-13,23H,14H2,(H2,22,27,28)/b24-20-
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28n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50504623
PNG
(CHEMBL4517834)
Show SMILES CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H13ClN4O3S/c1-20-13-7-2-9(16)8-12(13)14(15(20)21)19-18-10-3-5-11(6-4-10)24(17,22)23/h2-8,18H,1H3,(H2,17,22,23)/b19-14-
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28n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111768
BindingDB Entry DOI: 10.7270/Q2QC06T5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50551104
PNG
(CHEMBL4785207)
Show SMILES Nc1nn2cc([nH]c2c1\N=N\c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50551103
PNG
(CHEMBL4784840)
Show SMILES Cc1ccc(cc1)-c1cn2nc(N)c(\N=N\c3ccc(cc3)S(N)(=O)=O)c2[nH]1
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.112019
BindingDB Entry DOI: 10.7270/Q2Z3238X
More data for this
Ligand-Target Pair
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