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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50002534   
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))
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



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459808
PNG
(CHEMBL4202715)
Show SMILES Clc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459805
PNG
(CHEMBL4205947)
Show SMILES Fc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459810
PNG
(CHEMBL4211017)
Show SMILES [#6]-c1ccc2[se;v2]c(=S)ccc2c1
Show InChI InChI=1S/C10H8SSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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7.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459806
PNG
(CHEMBL4202818)
Show SMILES [Se]=[c]1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NSe/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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7.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459800
PNG
(CHEMBL4208481)
Show SMILES [#6]-c1ccc2[se;v2]c(=O)ccc2c1
Show InChI InChI=1S/C10H8OSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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7.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459801
PNG
(CHEMBL4212489)
Show SMILES O=[#6]-1[Te;v2]c2ccccc2-[#6]=[#6]-1 |c:10|
Show InChI InChI=1S/C9H6OTe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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8.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459804
PNG
(CHEMBL4216794)
Show SMILES Brc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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8.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459802
PNG
(CHEMBL4218729)
Show SMILES Cc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
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8.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
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



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459804
PNG
(CHEMBL4216794)
Show SMILES Brc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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23n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459809
PNG
(CHEMBL4205238)
Show SMILES O=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6OSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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23n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459808
PNG
(CHEMBL4202715)
Show SMILES Clc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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23n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459809
PNG
(CHEMBL4205238)
Show SMILES O=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6OSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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26n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459803
PNG
(CHEMBL4207792)
Show SMILES S=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6SSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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26n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
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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26n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459803
PNG
(CHEMBL4207792)
Show SMILES S=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6SSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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45n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459806
PNG
(CHEMBL4202818)
Show SMILES [Se]=[c]1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NSe/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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54n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459800
PNG
(CHEMBL4208481)
Show SMILES [#6]-c1ccc2[se;v2]c(=O)ccc2c1
Show InChI InChI=1S/C10H8OSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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56n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459805
PNG
(CHEMBL4205947)
Show SMILES Fc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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59n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459801
PNG
(CHEMBL4212489)
Show SMILES O=[#6]-1[Te;v2]c2ccccc2-[#6]=[#6]-1 |c:10|
Show InChI InChI=1S/C9H6OTe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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59n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459810
PNG
(CHEMBL4211017)
Show SMILES [#6]-c1ccc2[se;v2]c(=S)ccc2c1
Show InChI InChI=1S/C10H8SSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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82n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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84n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50459807
PNG
(CHEMBL4206530)
Show SMILES [#6]-n1c2ccccc2cc[c]1=[Se;v2]
Show InChI InChI=1S/C10H9NSe/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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86n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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93n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459802
PNG
(CHEMBL4218729)
Show SMILES Cc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
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123n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50459807
PNG
(CHEMBL4206530)
Show SMILES [#6]-n1c2ccccc2cc[c]1=[Se;v2]
Show InChI InChI=1S/C10H9NSe/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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172n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459804
PNG
(CHEMBL4216794)
Show SMILES Brc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459805
PNG
(CHEMBL4205947)
Show SMILES Fc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459800
PNG
(CHEMBL4208481)
Show SMILES [#6]-c1ccc2[se;v2]c(=O)ccc2c1
Show InChI InChI=1S/C10H8OSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459809
PNG
(CHEMBL4205238)
Show SMILES O=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6OSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459810
PNG
(CHEMBL4211017)
Show SMILES [#6]-c1ccc2[se;v2]c(=S)ccc2c1
Show InChI InChI=1S/C10H8SSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459808
PNG
(CHEMBL4202715)
Show SMILES Clc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459802
PNG
(CHEMBL4218729)
Show SMILES Cc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459806
PNG
(CHEMBL4202818)
Show SMILES [Se]=[c]1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NSe/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459800
PNG
(CHEMBL4208481)
Show SMILES [#6]-c1ccc2[se;v2]c(=O)ccc2c1
Show InChI InChI=1S/C10H8OSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459801
PNG
(CHEMBL4212489)
Show SMILES O=[#6]-1[Te;v2]c2ccccc2-[#6]=[#6]-1 |c:10|
Show InChI InChI=1S/C9H6OTe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459804
PNG
(CHEMBL4216794)
Show SMILES Brc1cccc2ccc(=O)[nH]c12
Show InChI InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459803
PNG
(CHEMBL4207792)
Show SMILES S=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6SSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459802
PNG
(CHEMBL4218729)
Show SMILES Cc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459810
PNG
(CHEMBL4211017)
Show SMILES [#6]-c1ccc2[se;v2]c(=S)ccc2c1
Show InChI InChI=1S/C10H8SSe/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
PDB
MMDB

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



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459806
PNG
(CHEMBL4202818)
Show SMILES [Se]=[c]1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NSe/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50459807
PNG
(CHEMBL4206530)
Show SMILES [#6]-n1c2ccccc2cc[c]1=[Se;v2]
Show InChI InChI=1S/C10H9NSe/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
PDB
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50459809
PNG
(CHEMBL4205238)
Show SMILES O=c1ccc2ccccc2[se;v2]1
Show InChI InChI=1S/C9H6OSe/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
PDB
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PC sid
UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
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