Compile Data Set for Download or QSAR
Found 480 Enz. Inhib. hit(s) with all data for entry = 50002160
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329831(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)
Affinity DataKd:  5.70nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454291(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)
Affinity DataKd:  88nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissoc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  18nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissoc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454303(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)
Affinity DataKd:  5.40nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissoci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM25901(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)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) assesse...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454304(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)
Affinity DataKd:  13nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) assesse...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454305(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)
Affinity DataKd:  17nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454306(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)
Affinity DataKd:  0.780nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  29nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454307(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)
Affinity DataKd:  4.20nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454308(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)
Affinity DataKd:  6.5nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329832(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)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454304(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)
Affinity DataKd:  187nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454309(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)
Affinity DataKd:  9.10nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM10880(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Affinity DataKd:  17nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454291(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)
Affinity DataKd:  3.80nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) asse...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329832(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)
Affinity DataKd:  1.80nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) asse...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454310(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)
Affinity DataKd:  2.80nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454311(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)
Affinity DataKd:  286nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454307(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)
Affinity DataKd:  526nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM10880(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Affinity DataKd:  50nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454305(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)
Affinity DataKd:  833nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454304(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)
Affinity DataKd:  725nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) assess...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454312(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)
Affinity DataKd:  32nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) assess...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  2.86E+3nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329823(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)
Affinity DataKd:  571nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluores...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454306(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)
Affinity DataKd:  286nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329832(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)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329831(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)
Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454311(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)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM25901(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)
Affinity DataKd:  670nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454313(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)
Affinity DataKd:  2.00E+5nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454305(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)
Affinity DataKd:  2.86E+3nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM25901(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)
Affinity DataKd:  2.80E+4nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) in pre...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454314(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)
Affinity DataKd:  2.00E+5nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) in pre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454303(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)
Affinity DataKd:  303nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM25901(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)
Affinity DataKd:  1.80E+4nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) in pre...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  2.63E+4nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) in pre...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454306(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)
Affinity DataKd:  500nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454311(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)
Affinity DataKd:  294nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  526nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454309(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)
Affinity DataKd:  125nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454303(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)
Affinity DataKd:  222nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) assess...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50329832(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)
Affinity DataKd:  11nMAssay Description:Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454315(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)
Affinity DataKd:  3.03E+3nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454292(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)
Affinity DataKd:  1.25E+3nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluores...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454309(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)
Affinity DataKd:  125nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454310(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)
Affinity DataKd:  1.67E+3nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454315(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)
Affinity DataKd:  1.25E+3nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50454305(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)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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