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Compile Data Set for Download or QSAR

Found 940 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 6 (CA VI)'   
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 6


(Homo sapiens (Human))
BDBM50503811
PNG
(CHEMBL4567746)
Show SMILES COC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H14N2O5S/c1-19-12(16)8-6-11(15)14(7-8)9-2-4-10(5-3-9)20(13,17)18/h2-5,8H,6-7H2,1H3,(H2,13,17,18)
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n/an/an/a 0.00540n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50571007
PNG
(CHEMBL4439634)
Show SMILES Cc1cc(cc(C)c1S(Cl)(=O)=O)N1CC(CC1=O)C(O)=O
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n/an/an/a 0.00540n/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CA6 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 6


(Homo sapiens (Human))
BDBM50503808
PNG
(CHEMBL4441730)
Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H23ClN4O5S/c1-12-8-17(19(22)13(2)20(12)32(23,29)30)26-11-15(9-18(26)27)21(28)25-24-10-14-4-6-16(31-3)7-5-14/h4-8,10,15H,9,11H2,1-3H3,(H,25,28)(H2,23,29,30)/b24-10+
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n/an/an/a 0.0670n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503816
PNG
(CHEMBL4573916)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Cl)cc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H20Cl2N4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+
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n/an/an/a 0.0730n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503786
PNG
(CHEMBL4555622)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+
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n/an/an/a 0.0920n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503780
PNG
(CHEMBL4475315)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+
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n/an/an/a 0.100n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.120n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503798
PNG
(CHEMBL4517728)
Show SMILES Cc1cc(NCC(CC(O)=O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H22ClN5O4S2/c1-11-8-15(17(21)12(2)18(11)32(22,29)30)23-10-13(9-16(27)28)19-24-25-20(31)26(19)14-6-4-3-5-7-14/h3-8,13,23H,9-10H2,1-2H3,(H,25,31)(H,27,28)(H2,22,29,30)
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n/an/an/a 0.140n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503776
PNG
(CHEMBL4560953)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N5O6S/c1-12-7-17(8-13(2)19(12)32(21,30)31)24-11-15(9-18(24)26)20(27)23-22-10-14-3-5-16(6-4-14)25(28)29/h3-8,10,15H,9,11H2,1-2H3,(H,23,27)(H2,21,30,31)/b22-10+
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n/an/an/a 0.150n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503795
PNG
(CHEMBL4463683)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H21ClN4O4S/c1-12-8-16(18(21)13(2)19(12)30(22,28)29)25-11-15(9-17(25)26)20(27)24-23-10-14-6-4-3-5-7-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+
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n/an/an/a 0.160n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503810
PNG
(CHEMBL4462447)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c18-12-2-1-3-14(9-12)21-10-11(8-16(21)22)17(23)20-13-4-6-15(7-5-13)26(19,24)25/h1-7,9,11H,8,10H2,(H,20,23)(H2,19,24,25)
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n/an/an/a 0.170n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50504897
PNG
(CHEMBL4562296)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Sc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H17ClN2O3S2/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/h1-12H,13H2,(H,23,24)(H2,22,25,26)
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n/an/an/a 0.170n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50449837
PNG
(CHEMBL4176862)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28)
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n/an/an/a 0.190n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(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 0.200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(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 0.200n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(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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Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50503807
PNG
(CHEMBL4587295)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O4S/c1-12-7-17(8-13(2)19(12)30(22,28)29)25-11-15(9-18(25)26)20(27)24-23-10-14-3-5-16(21)6-4-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+
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n/an/an/a 0.210n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503800
PNG
(CHEMBL4558235)
Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H24N4O5S/c1-13-8-17(9-14(2)20(13)31(22,28)29)25-12-16(10-19(25)26)21(27)24-23-11-15-4-6-18(30-3)7-5-15/h4-9,11,16H,10,12H2,1-3H3,(H,24,27)(H2,22,28,29)/b23-11+
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n/an/an/a 0.210n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50449816
PNG
(CHEMBL4160149)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
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n/an/an/a 0.240n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50503781
PNG
(CHEMBL4464359)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)NNC(=S)Nc2ccccc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H22ClN5O4S2/c1-11-8-15(17(21)12(2)18(11)32(22,29)30)26-10-13(9-16(26)27)19(28)24-25-20(31)23-14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3,(H,24,28)(H2,22,29,30)(H2,23,25,31)
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n/an/an/a 0.25n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503815
PNG
(CHEMBL4516072)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C17H17N3O4S/c18-25(23,24)15-8-6-13(7-9-15)19-17(22)12-10-16(21)20(11-12)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,19,22)(H2,18,23,24)
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n/an/an/a 0.260n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50449816
PNG
(CHEMBL4160149)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
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n/an/an/a 0.270n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(Homo sapiens (Human))
BDBM50503806
PNG
(CHEMBL4553790)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)
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n/an/an/a 0.270n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503778
PNG
(CHEMBL4443078)
Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN4O4S/c1-12-7-17(8-13(2)19(12)30(22,28)29)25-11-15(9-18(25)26)20(27)24-23-10-14-3-5-16(21)6-4-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+
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n/an/an/a 0.270n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.300n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50504900
PNG
(CHEMBL4574321)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19ClN2O3S2/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/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)(H2,19,22,23)
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n/an/an/a 0.300n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50449836
PNG
(CHEMBL4166643)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
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n/an/an/a 0.320n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(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 0.320n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50449836
PNG
(CHEMBL4166643)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
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n/an/an/a 0.330n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50503784
PNG
(CHEMBL4539340)
Show SMILES Cc1cc(N2CC(CC2=O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C20H20ClN5O3S2/c1-11-8-15(17(21)12(2)18(11)31(22,28)29)25-10-13(9-16(25)27)19-23-24-20(30)26(19)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3,(H,24,30)(H2,22,28,29)
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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 human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.370n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.370n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.370n/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CA6 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 6


(Homo sapiens (Human))
BDBM50449815
PNG
(CHEMBL4168966)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24)
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n/an/an/a 0.380n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(Homo sapiens (Human))
BDBM50503797
PNG
(CHEMBL4516858)
Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C18H21ClN4O4S/c1-9-5-14(16(19)12(4)17(9)28(20,26)27)22-8-13(7-15(22)24)18(25)23-11(3)6-10(2)21-23/h5-6,13H,7-8H2,1-4H3,(H2,20,26,27)
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n/an/an/a 0.380n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503813
PNG
(CHEMBL4457904)
Show SMILES Cc1cc(N2CC(CC2=O)c2n[nH]c(=S)o2)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C14H15ClN4O4S2/c1-6-3-9(11(15)7(2)12(6)25(16,21)22)19-5-8(4-10(19)20)13-17-18-14(24)23-13/h3,8H,4-5H2,1-2H3,(H,18,24)(H2,16,21,22)
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n/an/an/a 0.380n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503793
PNG
(CHEMBL4461481)
Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)
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n/an/an/a 0.380n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503801
PNG
(CHEMBL4446249)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC(CC1=O)C(O)=O
Show InChI InChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)(H2,12,17,18)
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n/an/an/a 0.390n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(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 0.400n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...


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 6


(Homo sapiens (Human))
BDBM50503809
PNG
(CHEMBL4567916)
Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)
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n/an/an/a 0.410n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503796
PNG
(CHEMBL4449149)
Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)
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n/an/an/a 0.430n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50504947
PNG
(CHEMBL4517317)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,23,24)(H2,22,27,28)
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n/an/an/a 0.440n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(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 0.440n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(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 0.450n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50504950
PNG
(CHEMBL4573963)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(cc1Cl)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)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)(H2,22,27,28)
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n/an/an/a 0.530n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(Homo sapiens (Human))
BDBM50503777
PNG
(CHEMBL4473602)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C14H17ClN2O5S/c1-7-4-10(12(15)8(2)13(7)23(16,20)21)17-6-9(5-11(17)18)14(19)22-3/h4,9H,5-6H2,1-3H3,(H2,16,20,21)
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n/an/an/a 0.540n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503790
PNG
(CHEMBL4458989)
Show SMILES Cc1cc(N2CC(CC2=O)C(=O)NN)c(Cl)c(C)c1S(N)(=O)=O
Show InChI InChI=1S/C13H17ClN4O4S/c1-6-3-9(11(14)7(2)12(6)23(16,21)22)18-5-8(4-10(18)19)13(20)17-15/h3,8H,4-5,15H2,1-2H3,(H,17,20)(H2,16,21,22)
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n/an/an/a 0.540n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50503792
PNG
(CHEMBL4593434)
Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)
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n/an/an/a 0.570n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay


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 6


(Homo sapiens (Human))
BDBM50504898
PNG
(CHEMBL4437818)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19BrN2O3S2/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/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)(H2,19,22,23)
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n/an/an/a 0.590n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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 6


(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 0.600n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 6 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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