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Compile Data Set for Download or QSAR

Found 254 hits of kd data for polymerid = 1228   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50329832
PNG
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
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n/an/an/a 0.00300n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454310
PNG
(CHEMBL4205044)
Show SMILES Cc1cc2ncn(CC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O)c2cc1C
Show InChI InChI=1S/C17H16ClN3O3S/c1-10-5-14-15(6-11(10)2)21(9-20-14)8-16(22)12-3-4-13(18)17(7-12)25(19,23)24/h3-7,9H,8H2,1-2H3,(H2,19,23,24)
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n/an/an/a 0.00800n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454312
PNG
(CHEMBL4205449)
Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28)
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n/an/an/a 0.0200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454303
PNG
(CHEMBL4207063)
Show SMILES NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O3S/c16-10-6-11(17)15(24(18,22)23)5-9(10)14(21)7-20-8-19-12-3-1-2-4-13(12)20/h1-6,8H,7H2,(H2,18,22,23)
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n/an/an/a 0.0600n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454311
PNG
(CHEMBL4214894)
Show SMILES NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(SCCc2ccccc2)cc1Cl
Show InChI InChI=1S/C23H20ClN3O3S2/c24-18-13-22(31-11-10-16-6-2-1-3-7-16)17(12-23(18)32(25,29)30)21(28)14-27-15-26-19-8-4-5-9-20(19)27/h1-9,12-13,15H,10-11,14H2,(H2,25,29,30)
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n/an/an/a 0.0700n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50503799
PNG
(CHEMBL4474833)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+
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n/an/an/a 0.110n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissocia...

Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454315
PNG
(CHEMBL4204729)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10ClN3O3S/c12-9-2-1-8(5-11(9)19(13,17)18)10(16)6-15-4-3-14-7-15/h1-5,7H,6H2,(H2,13,17,18)
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n/an/an/a 0.140n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454305
PNG
(CHEMBL4210750)
Show SMILES Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Cl)S(N)(=O)=O)c2cc1C
Show InChI InChI=1S/C17H15Cl2N3O3S/c1-9-3-14-15(4-10(9)2)22(8-21-14)7-16(23)11-5-17(26(20,24)25)13(19)6-12(11)18/h3-6,8H,7H2,1-2H3,(H2,20,24,25)
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n/an/an/a 0.140n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50329832
PNG
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
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n/an/an/a 0.25n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50503805
PNG
(CHEMBL4474251)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C18H18N4O4S/c19-27(25,26)16-8-6-15(7-9-16)22-12-14(10-17(22)23)18(24)21-20-11-13-4-2-1-3-5-13/h1-9,11,14H,10,12H2,(H,21,24)(H2,19,25,26)/b20-11+
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n/an/an/a 0.350n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissocia...

Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50503775
PNG
(CHEMBL4439909)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O
Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)
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n/an/an/a 0.460n/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CA5A assessed as intrinsic dissociation constant by thermal shift assay

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116140
BindingDB Entry DOI: 10.7270/Q2TM7FWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50503775
PNG
(CHEMBL4439909)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O
Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)
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n/an/an/a 0.460n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissocia...

Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454291
PNG
(CHEMBL4207242)
Show SMILES Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Sc3ccccc3)S(N)(=O)=O)c2cc1C
Show InChI InChI=1S/C23H20ClN3O3S2/c1-14-8-19-20(9-15(14)2)27(13-26-19)12-21(28)17-10-23(32(25,29)30)18(24)11-22(17)31-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,25,29,30)
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n/an/an/a 0.470n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454308
PNG
(CHEMBL4207577)
Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-9-6-10(16)13(24(17,22)23)5-8(9)14(21)19-20-7-18-11-3-1-2-4-12(11)20/h1-7H,(H,19,21)(H2,17,22,23)
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n/an/an/a 0.660n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504935
PNG
(CHEMBL4451503)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H23ClN2O3S2/c21-17-12-18(27-13-14-7-3-1-4-8-14)16(11-19(17)28(22,25)26)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,25,26)
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n/an/an/a 0.75n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454310
PNG
(CHEMBL4205044)
Show SMILES Cc1cc2ncn(CC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O)c2cc1C
Show InChI InChI=1S/C17H16ClN3O3S/c1-10-5-14-15(6-11(10)2)21(9-20-14)8-16(22)12-3-4-13(18)17(7-12)25(19,23)24/h3-7,9H,8H2,1-2H3,(H2,19,23,24)
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n/an/an/a 0.770n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454306
PNG
(CHEMBL4218335)
Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(Sc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H15ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h1-12H,(H,24,26)(H2,22,27,28)
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n/an/an/a 0.800n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454309
PNG
(CHEMBL4211504)
Show SMILES NS(=O)(=O)c1cc(C(=O)Cn2ccnc2)c(Cl)cc1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c12-8-4-9(13)11(20(14,18)19)3-7(8)10(17)5-16-2-1-15-6-16/h1-4,6H,5H2,(H2,14,18,19)
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n/an/an/a 0.880n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504909
PNG
(CHEMBL4450456)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22)
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n/an/an/a 0.920n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504905
PNG
(CHEMBL4442511)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C20H23ClN2O3S2/c21-17-12-18(27-15-9-5-2-6-10-15)16(11-19(17)28(22,25)26)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,25,26)
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n/an/an/a 1.10n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504952
PNG
(CHEMBL4466140)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C19H23ClN2O3S2/c1-2-3-10-22-19(23)15-12-18(27(21,24)25)16(20)13-17(15)26-11-9-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H,22,23)(H2,21,24,25)
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n/an/an/a 1.10n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50503779
PNG
(CHEMBL4449430)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN
Show InChI InChI=1S/C13H18N4O4S/c1-7-3-10(4-8(2)12(7)22(15,20)21)17-6-9(5-11(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)
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n/an/an/a 1.10n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissocia...

Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504896
PNG
(CHEMBL4588838)
Show SMILES COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C18H25ClN2O5S2/c1-26-17(22)8-5-9-21-18(23)13-10-16(28(20,24)25)14(19)11-15(13)27-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,21,23)(H2,20,24,25)
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n/an/an/a 1.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504904
PNG
(CHEMBL4513684)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C17H23ClN2O5S2/c18-13-10-14(26-11-5-2-1-3-6-11)12(9-15(13)27(19,24)25)17(23)20-8-4-7-16(21)22/h9-11H,1-8H2,(H,20,23)(H,21,22)(H2,19,24,25)
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n/an/an/a 1.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504927
PNG
(CHEMBL4444201)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H21ClN2O3S2/c1-2-3-9-21-18(22)14-10-17(26(20,23)24)15(19)11-16(14)25-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,22)(H2,20,23,24)
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n/an/an/a 1.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454303
PNG
(CHEMBL4207063)
Show SMILES NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O3S/c16-10-6-11(17)15(24(18,22)23)5-9(10)14(21)7-20-8-19-12-3-1-2-4-13(12)20/h1-6,8H,7H2,(H2,18,22,23)
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n/an/an/a 1.80n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454312
PNG
(CHEMBL4205449)
Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28)
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n/an/an/a 2n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504930
PNG
(CHEMBL4515586)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(SCCc2ccccc2)cc1Br
Show InChI InChI=1S/C17H19BrN2O4S2/c18-14-11-15(25-9-6-12-4-2-1-3-5-12)13(17(22)20-7-8-21)10-16(14)26(19,23)24/h1-5,10-11,21H,6-9H2,(H,20,22)(H2,19,23,24)
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n/an/an/a 2n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504951
PNG
(CHEMBL4565224)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(SCc2ccccc2)cc1Cl
Show InChI InChI=1S/C16H17ClN2O4S2/c17-13-9-14(24-10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)25(18,22)23/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,22,23)
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n/an/an/a 2.10n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504911
PNG
(CHEMBL4456851)
Show SMILES NC(=O)c1cc(c(Cl)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
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n/an/an/a 2.20n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504912
PNG
(CHEMBL4451500)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25ClN2O3S2/c1-2-3-9-20-17(21)13-10-16(25(19,22)23)14(18)11-15(13)24-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,20,21)(H2,19,22,23)
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n/an/an/a 2.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504917
PNG
(CHEMBL4572161)
Show SMILES COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C19H21ClN2O5S2/c1-27-18(23)8-5-9-22-19(24)14-10-17(29(21,25)26)15(20)11-16(14)28-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,22,24)(H2,21,25,26)
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n/an/an/a 2.80n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504960
PNG
(CHEMBL4468310)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(SCc2ccccc2)cc1Br
Show InChI InChI=1S/C16H17BrN2O4S2/c17-13-9-14(24-10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)25(18,22)23/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,22,23)
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n/an/an/a 3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50329831
PNG
(2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)
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n/an/an/a 3.5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504906
PNG
(CHEMBL4468834)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1SCCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C19H23BrN2O3S2/c1-2-3-10-22-19(23)15-12-18(27(21,24)25)16(20)13-17(15)26-11-9-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H,22,23)(H2,21,24,25)
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n/an/an/a 3.5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504940
PNG
(CHEMBL4475073)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C16H23ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h9-11,20H,1-8H2,(H,19,21)(H2,18,22,23)
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n/an/an/a 3.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504949
PNG
(CHEMBL4450545)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Cl
Show InChI InChI=1S/C15H21ClN2O4S2/c16-12-9-13(23-10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)24(17,21)22/h8-10,19H,1-7H2,(H,18,20)(H2,17,21,22)
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n/an/an/a 3.90n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454307
PNG
(CHEMBL4203615)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCCc2ccccc12
Show InChI InChI=1S/C17H17ClN2O3S/c18-14-8-7-13(10-17(14)24(19,22)23)16(21)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22,23)
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n/an/an/a 4.20n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454305
PNG
(CHEMBL4210750)
Show SMILES Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Cl)S(N)(=O)=O)c2cc1C
Show InChI InChI=1S/C17H15Cl2N3O3S/c1-9-3-14-15(4-10(9)2)22(8-21-14)7-16(23)11-5-17(26(20,24)25)13(19)6-12(11)18/h3-6,8H,7H2,1-2H3,(H2,20,24,25)
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n/an/an/a 4.5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454292
PNG
(CHEMBL4208414)
Show SMILES CCc1nccn1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14ClN3O3S/c1-2-13-16-5-6-17(13)8-11(18)9-3-4-10(14)12(7-9)21(15,19)20/h3-7H,2,8H2,1H3,(H2,15,19,20)
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n/an/an/a 4.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504913
PNG
(CHEMBL4436290)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1SCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H21BrN2O3S2/c1-2-3-9-21-18(22)14-10-17(26(20,23)24)15(19)11-16(14)25-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,22)(H2,20,23,24)
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n/an/an/a 5.40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50449819
PNG
(CHEMBL4165570)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 6.90n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assess...

Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50329823
PNG
(2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]b...)
Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)
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n/an/an/a 6.90n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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n/an/an/a 7n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50449819
PNG
(CHEMBL4165570)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3S/c15-11-7-12(16)13(22(17,20)21)6-10(11)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 7n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50454311
PNG
(CHEMBL4214894)
Show SMILES NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc23)c(SCCc2ccccc2)cc1Cl
Show InChI InChI=1S/C23H20ClN3O3S2/c24-18-13-22(31-11-10-16-6-2-1-3-7-16)17(12-23(18)32(25,29)30)21(28)14-27-15-26-19-8-4-5-9-20(19)27/h1-9,12-13,15H,10-11,14H2,(H2,25,29,30)
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n/an/an/a 7.10n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...

Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50449835
PNG
(CHEMBL4170371)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20ClN3O4S/c1-25-8-7-20-17(22)13-9-16(26(19,23)24)14(18)10-15(13)21-11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)(H2,19,23,24)
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n/an/an/a 7.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assess...

Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504933
PNG
(CHEMBL4539233)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Br
Show InChI InChI=1S/C15H21BrN2O4S2/c16-12-9-13(23-10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)24(17,21)22/h8-10,19H,1-7H2,(H,18,20)(H2,17,21,22)
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n/an/an/a 8.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504956
PNG
(CHEMBL4446052)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1SC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25BrN2O3S2/c1-2-3-9-20-17(21)13-10-16(25(19,22)23)14(18)11-15(13)24-12-7-5-4-6-8-12/h10-12H,2-9H2,1H3,(H,20,21)(H2,19,22,23)
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n/an/an/a 8.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))		BDBM50504942
PNG
(CHEMBL4521683)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1SCCO)S(N)(=O)=O
Show InChI InChI=1S/C13H19BrN2O4S2/c1-2-3-4-16-13(18)9-7-12(22(15,19)20)10(14)8-11(9)21-6-5-17/h7-8,17H,2-6H2,1H3,(H,16,18)(H2,15,19,20)
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n/an/an/a 10n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
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