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Compile Data Set for Download or QSAR

Found 452 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase III'   
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 III


(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 7.5n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449813
PNG
(CHEMBL4170792)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C17H20ClN3O4S/c18-14-10-15(21-11-12-5-2-1-3-6-12)13(9-16(14)26(19,24)25)17(23)20-7-4-8-22/h1-3,5-6,9-10,21-22H,4,7-8,11H2,(H,20,23)(H2,19,24,25)
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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 human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/an/a 8.40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449826
PNG
(CHEMBL4161701)
Show SMILES NC(=O)c1cc(c(Cl)cc1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C15H22ClN3O3S/c16-12-9-13(19-10-6-4-2-1-3-5-7-10)11(15(17)20)8-14(12)23(18,21)22/h8-10,19H,1-7H2,(H2,17,20)(H2,18,21,22)
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n/an/an/a 9.60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449811
PNG
(CHEMBL4165127)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Br)cc1Br
Show InChI InChI=1S/C7H5Br2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/an/a 17n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449825
PNG
(CHEMBL4160627)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NC2CCCCCCC2)cc1Cl
Show InChI InChI=1S/C15H21ClN2O4S/c16-12-9-13(18-10-6-4-2-1-3-5-7-10)11(15(19)20)8-14(12)23(17,21)22/h8-10,18H,1-7H2,(H,19,20)(H2,17,21,22)
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n/an/an/a 19n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 30n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 30n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 30n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449814
PNG
(CHEMBL4163518)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25)
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n/an/an/a 30n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449831
PNG
(CHEMBL4172331)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(Cl)cc1Cl
Show InChI InChI=1S/C9H10Cl2N2O4S/c10-6-4-7(11)8(18(12,16)17)3-5(6)9(15)13-1-2-14/h3-4,14H,1-2H2,(H,13,15)(H2,12,16,17)
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n/an/an/a 31n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50429900
PNG
(CHEMBL2333417)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCO
Show InChI InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)
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n/an/an/a 33n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 at pH7 and 37 degC by fluorescent thermal shift assay


J Med Chem 57: 9435-46 (2014)


Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 37n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 38n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449809
PNG
(CHEMBL4168997)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(Br)cc1Br
Show InChI InChI=1S/C9H10Br2N2O4S/c10-6-4-7(11)8(18(12,16)17)3-5(6)9(15)13-1-2-14/h3-4,14H,1-2H2,(H,13,15)(H2,12,16,17)
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n/an/an/a 40n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449822
PNG
(CHEMBL4175740)
Show SMILES NC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C7H6Cl2N2O3S/c8-4-2-5(9)6(15(11,13)14)1-3(4)7(10)12/h1-2H,(H2,10,12)(H2,11,13,14)
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n/an/an/a 44n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449833
PNG
(CHEMBL4162451)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1NC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C16H24ClN3O4S/c1-24-8-7-19-16(21)12-9-15(25(18,22)23)13(17)10-14(12)20-11-5-3-2-4-6-11/h9-11,20H,2-8H2,1H3,(H,19,21)(H2,18,22,23)
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n/an/an/a 48n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449829
PNG
(CHEMBL4166964)
Show SMILES COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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n/an/an/a 51n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 57n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449832
PNG
(CHEMBL4165543)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl
Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24)
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n/an/an/a 60n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 63n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449827
PNG
(CHEMBL4173471)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl
Show InChI InChI=1S/C10H12Cl2N2O4S/c11-7-5-8(12)9(19(13,17)18)4-6(7)10(16)14-2-1-3-15/h4-5,15H,1-3H2,(H,14,16)(H2,13,17,18)
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n/an/an/a 94n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449820
PNG
(CHEMBL4177268)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1NC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H26BrN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
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n/an/an/a 96n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449828
PNG
(CHEMBL4174214)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
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n/an/an/a 96n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449817
PNG
(CHEMBL4159066)
Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C19H30ClN3O3S/c1-2-3-11-22-19(24)15-12-18(27(21,25)26)16(20)13-17(15)23-14-9-7-5-4-6-8-10-14/h12-14,23H,2-11H2,1H3,(H,22,24)(H2,21,25,26)
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n/an/an/a 96n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449823
PNG
(CHEMBL4170058)
Show SMILES CCCCNC(=O)c1cc(c(Br)cc1NCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22BrN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25)
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n/an/an/a 96n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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=1/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 105n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 115n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 125n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449821
PNG
(CHEMBL4168586)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C11H12Cl2N2O5S/c12-7-5-8(13)9(21(14,19)20)4-6(7)11(18)15-3-1-2-10(16)17/h4-5H,1-3H2,(H,15,18)(H,16,17)(H2,14,19,20)
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n/an/an/a 150n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50454304
PNG
(CHEMBL4204892)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1ccnc1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O3S/c18-14-7-6-13(10-16(14)25(19,23)24)15(22)11-21-9-8-20-17(21)12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,23,24)
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n/an/an/a 187n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 191n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449818
PNG
(CHEMBL4165896)
Show SMILES COC(=O)CCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C12H14Cl2N2O5S/c1-21-11(17)3-2-4-16-12(18)7-5-10(22(15,19)20)9(14)6-8(7)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20)
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n/an/an/a 210n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449810
PNG
(CHEMBL4162133)
Show SMILES CC(=O)OCCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C12H14Cl2N2O5S/c1-7(17)21-4-2-3-16-12(18)8-5-11(22(15,19)20)10(14)6-9(8)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20)
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n/an/an/a 220n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449812
PNG
(CHEMBL4176828)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
Show InChI InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23)
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n/an/an/a 240n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 255n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 300n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 341n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449830
PNG
(CHEMBL4173814)
Show SMILES NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C11H12Cl2N2O4S/c12-8-6-9(13)10(20(14,17)18)5-7(8)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H2,14,17,18)
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n/an/an/a 420n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 469n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50449834
PNG
(CHEMBL4173501)
Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)
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Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...


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

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50454313
PNG
(CHEMBL4216585)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O3S/c24-19-12-11-18(13-21(19)31(25,29)30)20(28)14-27-15-26-22(16-7-3-1-4-8-16)23(27)17-9-5-2-6-10-17/h1-13,15H,14H2,(H2,25,29,30)
PDB
MMDB

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n/an/an/a 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50454314
PNG
(CHEMBL4215863)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)
PDB
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n/an/an/a 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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)
PDB
MMDB

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n/an/an/a 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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)
PDB
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n/an/an/a 750n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...


Bioorg Med Chem 26: 675-687 (2018)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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)
PDB
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n/an/an/a 2.00E+3n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by ...


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

More data for this
Ligand-Target Pair
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