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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'pereira' and Initial = 'c'   
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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6n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
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



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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75n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
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230n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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520n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
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550n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
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650n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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750n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
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760n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
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840n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
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920n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
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1.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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2.60E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
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2.90E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
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3.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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3.60E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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3.90E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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4.30E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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4.50E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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4.50E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
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4.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
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4.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
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5.20E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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5.40E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
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5.40E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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5.70E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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6.20E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
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7.30E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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7.70E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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9.40E+3n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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1.81E+4n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
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1.98E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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2.36E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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2.90E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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3.22E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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3.92E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
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3.96E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
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4.50E+4n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
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4.59E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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5.34E+4n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
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5.47E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
PDB
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5.58E+4n/an/an/an/an/an/an/an/a



University of Florence

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


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
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