Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'esirden' and Initial = 'i'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205571 (CHEMBL3967103) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22| Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205568 (CHEMBL3937384) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125572 (CHEMBL3623634) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205563 (CHEMBL3969810) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-5-7-18(8-6-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-9-11-20(12-10-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205595 (CHEMBL3955992) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15| Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50205571 (CHEMBL3967103) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22| Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205569 (CHEMBL3928382) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15| Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50205571 (CHEMBL3967103) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22| Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50205568 (CHEMBL3937384) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50205568 (CHEMBL3937384) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125567 (CHEMBL3623645) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125366 (CHEMBL3623639) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125574 (CHEMBL3623636) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:31,t:20| Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125573 (CHEMBL3623635) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125369 (CHEMBL3623642) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:31,t:20| Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125368 (CHEMBL3623641) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125370 (CHEMBL3623643) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125408 (CHEMBL3623644) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125366 (CHEMBL3623639) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125367 (CHEMBL3623640) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50205566 (CHEMBL3947267) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125569 (CHEMBL3623631) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-19(8-6-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-9-11-20(12-10-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125364 (CHEMBL3623637) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125367 (CHEMBL3623640) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125368 (CHEMBL3623641) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125369 (CHEMBL3623642) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:31,t:20| Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125570 (CHEMBL3623632) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125567 (CHEMBL3623645) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125364 (CHEMBL3623637) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125408 (CHEMBL3623644) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125367 (CHEMBL3623640) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50205569 (CHEMBL3928382) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15| Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125366 (CHEMBL3623639) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50205595 (CHEMBL3955992) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15| Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125568 (CHEMBL3623646) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125570 (CHEMBL3623632) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125572 (CHEMBL3623634) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125567 (CHEMBL3623645) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:33,t:22| Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125574 (CHEMBL3623636) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:31,t:20| Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125408 (CHEMBL3623644) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125573 (CHEMBL3623635) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50125365 (CHEMBL3623638) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-5-9-23(10-6-21)38-47(44,45)26-13-7-22(36)8-14-26)33-28(18-35(3,4)20-30(33)41)39(27)24-11-15-25(16-12-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair

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