Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'riafrecha' and Initial = 'le'   

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 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
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					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
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					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
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50534418 (CHEMBL4454282) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C=C[C@@H]1OC(C)=O |r,c:20| Show InChI InChI=1S/C16H19NO8S/c1-10(18)23-9-15-14(24-11(2)19)7-8-16(25-15)17-26(21,22)13-5-3-12(20)4-6-13/h3-8,14-17,20H,9H2,1-2H3/t14-,15+,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50294475 ((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...) Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023595 (CHEMBL3329926) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023596 (CHEMBL3329925) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023603 (CHEMBL3329929) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023598 (CHEMBL3329931) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023597 (CHEMBL3329924) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023600 (CHEMBL3329922) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534417 (CHEMBL4458516) Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1OC(C)=O |r,c:20| Show InChI InChI=1S/C16H19NO8S/c1-10(18)23-9-15-14(24-11(2)19)7-8-16(25-15)17-26(21,22)13-5-3-12(20)4-6-13/h3-8,14-17,20H,9H2,1-2H3/t14-,15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534418 (CHEMBL4454282) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C=C[C@@H]1OC(C)=O |r,c:20| Show InChI InChI=1S/C16H19NO8S/c1-10(18)23-9-15-14(24-11(2)19)7-8-16(25-15)17-26(21,22)13-5-3-12(20)4-6-13/h3-8,14-17,20H,9H2,1-2H3/t14-,15+,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534420 (CHEMBL4465817) Show SMILES OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C=C[C@@H]1O |r,c:17| Show InChI InChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11+,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023604 (CHEMBL3329930) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023602 (CHEMBL3329928) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					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
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534419 (CHEMBL4443182) Show SMILES OC[C@H]1O[C@@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1O |r,c:17| Show InChI InChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534423 (CHEMBL4449836) Show SMILES OC[C@H]1O[C@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1O |r,c:17| Show InChI InChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534421 (CHEMBL4469108) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C(OC(C)=O)=C[C@@H]1OC(C)=O |r,c:24| Show InChI InChI=1S/C18H21NO10S/c1-10(20)26-9-17-15(27-11(2)21)8-16(28-12(3)22)18(29-17)19-30(24,25)14-6-4-13(23)5-7-14/h4-8,15,17-19,23H,9H2,1-3H3/t15-,17+,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50023601 (CHEMBL3329923) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023595 (CHEMBL3329926) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1	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	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50023599 (CHEMBL3329921) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50294475 ((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...) Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50534420 (CHEMBL4465817) Show SMILES OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C=C[C@@H]1O |r,c:17| Show InChI InChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11+,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023602 (CHEMBL3329928) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023598 (CHEMBL3329931) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	485	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50023600 (CHEMBL3329922) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50023604 (CHEMBL3329930) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	552	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023601 (CHEMBL3329923) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023594 (CHEMBL3329927) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	615	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50023596 (CHEMBL3329925) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023597 (CHEMBL3329924) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023601 (CHEMBL3329923) Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1	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	673	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023594 (CHEMBL3329927) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	682	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534422 (CHEMBL4459557) Show SMILES CC(=O)OC[C@H]1O[C@H](NS(=O)(=O)c2ccc(O)cc2)C=C[C@H]1OC(C)=O |r,c:20| Show InChI InChI=1S/C16H19NO8S/c1-10(18)23-9-15-14(24-11(2)19)7-8-16(25-15)17-26(21,22)13-5-3-12(20)4-6-13/h3-8,14-17,20H,9H2,1-2H3/t14-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	695	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023600 (CHEMBL3329922) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	753	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023596 (CHEMBL3329925) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1	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	773	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023599 (CHEMBL3329921) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	779	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50023599 (CHEMBL3329921) Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50294475 ((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...) Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50023604 (CHEMBL3329930) Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	936	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50534416 (CHEMBL4565694) Show SMILES OC[C@H]1OC(NS(=O)(=O)c2ccc(O)cc2)C(=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15NO7S/c14-6-11-9(16)5-10(17)12(20-11)13-21(18,19)8-3-1-7(15)2-4-8/h1-4,9,11-16H,5-6H2/t9-,11+,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 26: 3892-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.015 BindingDB Entry DOI: 10.7270/Q21N84M7
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50426826 (CHEMBL2323137) Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50426826 (CHEMBL2323137) Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 205 total )  |  Next  |  Last  >>

Jump to: