Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 50007849   

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))	BDBM50513286 (CHEMBL4470319) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513283 (CHEMBL4534829) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C19H26N4O5S/c1-13-3-2-9-19(11-13)17(25)23(18(26)22-19)12-16(24)21-10-8-14-4-6-15(7-5-14)29(20,27)28/h4-7,13H,2-3,8-12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513291 (CHEMBL4448793) Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513289 (CHEMBL4435918) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513285 (CHEMBL4553772) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513289 (CHEMBL4435918) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513293 (CHEMBL4471521) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513282 (CHEMBL4473062) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513282 (CHEMBL4473062) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513292 (CHEMBL4541654) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513293 (CHEMBL4471521) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513290 (CHEMBL4444589) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
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
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513293 (CHEMBL4471521) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513283 (CHEMBL4534829) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C19H26N4O5S/c1-13-3-2-9-19(11-13)17(25)23(18(26)22-19)12-16(24)21-10-8-14-4-6-15(7-5-14)29(20,27)28/h4-7,13H,2-3,8-12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513292 (CHEMBL4541654) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513286 (CHEMBL4470319) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513292 (CHEMBL4541654) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513294 (CHEMBL4519699) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513290 (CHEMBL4444589) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513294 (CHEMBL4519699) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513286 (CHEMBL4470319) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513282 (CHEMBL4473062) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513295 (CHEMBL4592146) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513284 (CHEMBL4473622) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513291 (CHEMBL4448793) Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513287 (CHEMBL4464229) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513285 (CHEMBL4553772) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513288 (CHEMBL4443862) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513284 (CHEMBL4473622) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513287 (CHEMBL4464229) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513284 (CHEMBL4473622) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513296 (CHEMBL4441613) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513296 (CHEMBL4441613) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50513292 (CHEMBL4541654) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513295 (CHEMBL4592146) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513291 (CHEMBL4448793) Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513290 (CHEMBL4444589) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513289 (CHEMBL4435918) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
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
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513291 (CHEMBL4448793) Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513286 (CHEMBL4470319) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513288 (CHEMBL4443862) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50513287 (CHEMBL4464229) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513285 (CHEMBL4553772) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513295 (CHEMBL4592146) Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair

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