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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50034503   
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 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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320n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM36190
PNG
((+/-)-cis-2-methylcyclohexanol)
Show SMILES C[C@H]1CCCC[C@H]1O
Show InChI InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
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340n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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340n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
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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370n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363500
PNG
(CHEMBL1946088)
Show SMILES COc1cc(CC2CCCCC2O)cc(Br)c1OC
Show InChI InChI=1S/C15H21BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3
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380n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363491
PNG
(CHEMBL1946182)
Show SMILES CCCC1CCCCC1O
Show InChI InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3
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380n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363501
PNG
(CHEMBL1946177)
Show SMILES COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H20Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9,11,18H,3-7H2,1-2H3
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410n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7
PNG
(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Show SMILES CC1CCCCC1=O
Show InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
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420n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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430n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363500
PNG
(CHEMBL1946088)
Show SMILES COc1cc(CC2CCCCC2O)cc(Br)c1OC
Show InChI InChI=1S/C15H21BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3
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480n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363501
PNG
(CHEMBL1946177)
Show SMILES COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H20Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9,11,18H,3-7H2,1-2H3
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510n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363495
PNG
(CHEMBL490356)
Show SMILES Oc1c(O)c(Br)c(C[C@H]2CCCCC2=O)c(Br)c1Br |r|
Show InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
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560n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363492
PNG
(CHEMBL1946184)
Show SMILES NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
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570n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
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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578n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363495
PNG
(CHEMBL490356)
Show SMILES Oc1c(O)c(Br)c(C[C@H]2CCCCC2=O)c(Br)c1Br |r|
Show InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
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590n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363502
PNG
(CHEMBL1946178)
Show SMILES COc1cc(CC2CCCCC2OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C22H22Br2N2O8/c1-32-18-10-13(19(23)20(24)21(18)33-2)7-12-5-3-4-6-17(12)34-22(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h8-12,17H,3-7H2,1-2H3
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840n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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840n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363500
PNG
(CHEMBL1946088)
Show SMILES COc1cc(CC2CCCCC2O)cc(Br)c1OC
Show InChI InChI=1S/C15H21BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3
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850n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363501
PNG
(CHEMBL1946177)
Show SMILES COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H20Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9,11,18H,3-7H2,1-2H3
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930n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363502
PNG
(CHEMBL1946178)
Show SMILES COc1cc(CC2CCCCC2OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C22H22Br2N2O8/c1-32-18-10-13(19(23)20(24)21(18)33-2)7-12-5-3-4-6-17(12)34-22(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h8-12,17H,3-7H2,1-2H3
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960n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363500
PNG
(CHEMBL1946088)
Show SMILES COc1cc(CC2CCCCC2O)cc(Br)c1OC
Show InChI InChI=1S/C15H21BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3
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1.04E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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1.07E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363495
PNG
(CHEMBL490356)
Show SMILES Oc1c(O)c(Br)c(C[C@H]2CCCCC2=O)c(Br)c1Br |r|
Show InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
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1.08E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363502
PNG
(CHEMBL1946178)
Show SMILES COc1cc(CC2CCCCC2OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C22H22Br2N2O8/c1-32-18-10-13(19(23)20(24)21(18)33-2)7-12-5-3-4-6-17(12)34-22(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h8-12,17H,3-7H2,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363501
PNG
(CHEMBL1946177)
Show SMILES COc1cc(CC2CCCCC2O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H20Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9,11,18H,3-7H2,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.12E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363492
PNG
(CHEMBL1946184)
Show SMILES NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
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1.43E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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1.58E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363495
PNG
(CHEMBL490356)
Show SMILES Oc1c(O)c(Br)c(C[C@H]2CCCCC2=O)c(Br)c1Br |r|
Show InChI InChI=1S/C13H13Br3O3/c14-9-7(5-6-3-1-2-4-8(6)17)10(15)12(18)13(19)11(9)16/h6,18-19H,1-5H2/t6-/m1/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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2.42E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363502
PNG
(CHEMBL1946178)
Show SMILES COc1cc(CC2CCCCC2OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C22H22Br2N2O8/c1-32-18-10-13(19(23)20(24)21(18)33-2)7-12-5-3-4-6-17(12)34-22(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h8-12,17H,3-7H2,1-2H3
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2.45E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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2.97E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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3.75E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363492
PNG
(CHEMBL1946184)
Show SMILES NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
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3.79E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363499
PNG
(CHEMBL1946087)
Show SMILES COc1cc(CC2CCCCC2=O)cc(Br)c1OC
Show InChI InChI=1S/C15H19BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11H,3-7H2,1-2H3
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3.97E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363498
PNG
(CHEMBL1946086)
Show SMILES COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H18Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9H,3-7H2,1-2H3
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4.33E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363497
PNG
(CHEMBL1946085)
Show SMILES COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC
Show InChI InChI=1S/C15H17Br3O3/c1-20-14-12(17)9(11(16)13(18)15(14)21-2)7-8-5-3-4-6-10(8)19/h8H,3-7H2,1-2H3
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4.42E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363499
PNG
(CHEMBL1946087)
Show SMILES COc1cc(CC2CCCCC2=O)cc(Br)c1OC
Show InChI InChI=1S/C15H19BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11H,3-7H2,1-2H3
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4.81E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363498
PNG
(CHEMBL1946086)
Show SMILES COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H18Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9H,3-7H2,1-2H3
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5.24E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50363497
PNG
(CHEMBL1946085)
Show SMILES COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC
Show InChI InChI=1S/C15H17Br3O3/c1-20-14-12(17)9(11(16)13(18)15(14)21-2)7-8-5-3-4-6-10(8)19/h8H,3-7H2,1-2H3
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5.59E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363499
PNG
(CHEMBL1946087)
Show SMILES COc1cc(CC2CCCCC2=O)cc(Br)c1OC
Show InChI InChI=1S/C15H19BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11H,3-7H2,1-2H3
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7.03E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363498
PNG
(CHEMBL1946086)
Show SMILES COc1cc(CC2CCCCC2=O)c(Br)c(Br)c1OC
Show InChI InChI=1S/C15H18Br2O3/c1-19-12-8-10(13(16)14(17)15(12)20-2)7-9-5-3-4-6-11(9)18/h8-9H,3-7H2,1-2H3
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7.42E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM36190
PNG
((+/-)-cis-2-methylcyclohexanol)
Show SMILES C[C@H]1CCCC[C@H]1O
Show InChI InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
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PubMed
7.56E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363491
PNG
(CHEMBL1946182)
Show SMILES CCCC1CCCCC1O
Show InChI InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3
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PubMed
7.64E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363497
PNG
(CHEMBL1946085)
Show SMILES COc1c(Br)c(Br)c(CC2CCCCC2=O)c(Br)c1OC
Show InChI InChI=1S/C15H17Br3O3/c1-20-14-12(17)9(11(16)13(18)15(14)21-2)7-8-5-3-4-6-10(8)19/h8H,3-7H2,1-2H3
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PubMed
7.68E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM36190
PNG
((+/-)-cis-2-methylcyclohexanol)
Show SMILES C[C@H]1CCCC[C@H]1O
Show InChI InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
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PubMed
8.43E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7
PNG
(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Show SMILES CC1CCCCC1=O
Show InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
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Article
PubMed
8.61E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50363491
PNG
(CHEMBL1946182)
Show SMILES CCCC1CCCCC1O
Show InChI InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3
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Article
PubMed
8.67E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM7
PNG
(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Show SMILES CC1CCCCC1=O
Show InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
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Article
PubMed
8.93E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50363499
PNG
(CHEMBL1946087)
Show SMILES COc1cc(CC2CCCCC2=O)cc(Br)c1OC
Show InChI InChI=1S/C15H19BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11H,3-7H2,1-2H3
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Article
PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
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