Compile Data Set for Download or QSAR

Found 392 hits with Last Name = 'grandane' and Initial = 'a'   

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))	BDBM50087044 (CHEMBL3426540) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11| Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087051 (CHEMBL3426533) Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087053 (CHEMBL3426531) Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15| Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065655 (CHEMBL3402840) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20| Show InChI InChI=1S/C15H9F3O4S/c16-15(17,18)21-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-23(19,20)22-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087054 (CHEMBL3426530) Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12| Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065653 (CHEMBL3402842) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-22(19,20)21-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087048 (CHEMBL3426536) Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495583 (CHEMBL3114101) Show SMILES Clc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C15H9ClN4O3S/c16-12-2-4-13(5-3-12)20-15(17-18-19-20)11-1-6-14-10(9-11)7-8-24(21,22)23-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065659 (CHEMBL3402836) Show SMILES Fc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16| Show InChI InChI=1S/C14H9FO3S/c15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19(16,17)18-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087049 (CHEMBL3426535) Show SMILES Ic1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C15H10INO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065649 (CHEMBL3402833) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1ccccc1 |c:11| Show InChI InChI=1S/C14H10O3S/c15-18(16)9-8-13-10-12(6-7-14(13)17-18)11-4-2-1-3-5-11/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495591 (CHEMBL3114102) Show SMILES Fc1ccc(cc1Cl)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C15H8ClFN4O3S/c16-12-8-11(2-3-13(12)17)21-15(18-19-20-21)10-1-4-14-9(7-10)5-6-25(22,23)24-14/h1-8H	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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496437 (CHEMBL3127562) Show SMILES FC(F)(F)c1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:25| Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-11(2-4-13)15-10-23(22-21-15)14-5-6-16-12(9-14)7-8-27(24,25)26-16/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496431 (CHEMBL3127556) Show SMILES CC(C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18| Show InChI InChI=1S/C14H15N3O3S/c1-14(2,3)13-9-17(16-15-13)11-4-5-12-10(8-11)6-7-21(18,19)20-12/h4-9H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50087053 (CHEMBL3426531) Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15| Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496430 (CHEMBL3127557) Show SMILES CC(C)(O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18| Show InChI InChI=1S/C13H13N3O4S/c1-13(2,17)12-8-16(15-14-12)10-3-4-11-9(7-10)5-6-21(18,19)20-11/h3-8,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495588 (CHEMBL3114104) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1cccc2ccccc12 |c:11| Show InChI InChI=1S/C19H12N4O3S/c24-27(25)11-10-14-12-15(8-9-18(14)26-27)19-20-21-22-23(19)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115496 BindingDB Entry DOI: 10.7270/Q2W66QB6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065650 (CHEMBL3402845) Show SMILES Clc1ccc(cc1Cl)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17| Show InChI InChI=1S/C14H8Cl2O3S/c15-12-3-1-10(8-13(12)16)9-2-4-14-11(7-9)5-6-20(17,18)19-14/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065647 (CHEMBL3402835) Show SMILES Cc1ccccc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16| Show InChI InChI=1S/C15H12O3S/c1-11-4-2-3-5-14(11)12-6-7-15-13(10-12)8-9-19(16,17)18-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496432 (CHEMBL3127555) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cc(nn1)C1CC1 |c:11| Show InChI InChI=1S/C13H11N3O3S/c17-20(18)6-5-10-7-11(3-4-13(10)19-20)16-8-12(14-15-16)9-1-2-9/h3-9H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495592 (CHEMBL3114096) Show SMILES Cc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H12N4O3S/c1-11-2-5-14(6-3-11)20-16(17-18-19-20)13-4-7-15-12(10-13)8-9-24(21,22)23-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065652 (CHEMBL3402843) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C15H9F3O3S/c16-15(17,18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-22(19,20)21-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087047 (CHEMBL3426537) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccs1 |c:11| Show InChI InChI=1S/C13H9NO4S2/c15-13(12-2-1-6-19-12)14-10-3-4-11-9(8-10)5-7-20(16,17)18-11/h1-8H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087046 (CHEMBL3426538) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccco1 |c:11| Show InChI InChI=1S/C13H9NO5S/c15-13(12-2-1-6-18-12)14-10-3-4-11-9(8-10)5-7-20(16,17)19-11/h1-8H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495584 (CHEMBL3114098) Show SMILES COc1ccc(cc1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C16H12N4O4S/c1-23-14-5-3-13(4-6-14)20-16(17-18-19-20)12-2-7-15-11(10-12)8-9-25(21,22)24-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496429 (CHEMBL3127560) Show SMILES Nc1ccccc1-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H12N4O3S/c17-14-4-2-1-3-13(14)15-10-20(19-18-15)12-5-6-16-11(9-12)7-8-24(21,22)23-16/h1-10H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495593 (CHEMBL3114093) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cnnn1 |c:11| Show InChI InChI=1S/C9H6N4O3S/c14-17(15)4-3-7-5-8(1-2-9(7)16-17)13-6-10-11-12-13/h1-6H	PDB MMDB 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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50495588 (CHEMBL3114104) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1cccc2ccccc12 |c:11| Show InChI InChI=1S/C19H12N4O3S/c24-27(25)11-10-14-12-15(8-9-18(14)26-27)19-20-21-22-23(19)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50087052 (CHEMBL3426532) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccccc1 |c:11| Show InChI InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496423 (CHEMBL3127564) Show SMILES Fc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-11(2-4-13)15-10-20(19-18-15)14-5-6-16-12(9-14)7-8-24(21,22)23-16/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50065654 (CHEMBL3402841) Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087045 (CHEMBL3426539) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11| Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496440 (CHEMBL3127563) Show SMILES Fc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-20(19-18-15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H	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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50495591 (CHEMBL3114102) Show SMILES Fc1ccc(cc1Cl)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C15H8ClFN4O3S/c16-12-8-11(2-3-13(12)17)21-15(18-19-20-21)10-1-4-14-9(7-10)5-6-25(22,23)24-14/h1-8H	PDB MMDB NCI pathway 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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50087050 (CHEMBL3426534) Show SMILES Brc1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C15H10BrNO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50426698 (CHEMBL2326518) Show SMILES CCN(CC)Cc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20| Show InChI InChI=1S/C15H18N4O3S/c1-3-18(4-2)10-13-11-19(17-16-13)14-5-6-15-12(9-14)7-8-23(20,21)22-15/h5-9,11H,3-4,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495594 (CHEMBL3114095) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-c1nnnn1-c1ccccc1 |c:11| Show InChI InChI=1S/C15H10N4O3S/c20-23(21)9-8-11-10-12(6-7-14(11)22-23)15-16-17-18-19(15)13-4-2-1-3-5-13/h1-10H	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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496433 (CHEMBL3127572) Show SMILES Fc1cccc(c1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-18-19-20(15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50496425 (CHEMBL3127571) Show SMILES FC(F)(F)c1ccc(cc1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:25| Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-11(2-4-13)15-10-21-22-23(15)14-5-6-16-12(9-14)7-8-27(24,25)26-16/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50495586 (CHEMBL3114100) Show SMILES Brc1cccc(c1)-n1nnnc1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C15H9BrN4O3S/c16-12-2-1-3-13(9-12)20-15(17-18-19-20)11-4-5-14-10(8-11)6-7-24(21,22)23-14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem 22: 1522-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.043 BindingDB Entry DOI: 10.7270/Q29C71C6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50496433 (CHEMBL3127572) Show SMILES Fc1cccc(c1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10FN3O3S/c17-13-3-1-2-11(8-13)15-10-18-19-20(15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496441 (CHEMBL3127558) Show SMILES Clc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:22| Show InChI InChI=1S/C16H10ClN3O3S/c17-13-3-1-2-11(8-13)15-10-20(19-18-15)14-4-5-16-12(9-14)6-7-24(21,22)23-16/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496439 (CHEMBL3127568) Show SMILES COc1cccc(c1)-c1cnnn1-c1ccc2OS(=O)(=O)C=Cc2c1 |c:23| Show InChI InChI=1S/C17H13N3O4S/c1-23-15-4-2-3-12(10-15)16-11-18-19-20(16)14-5-6-17-13(9-14)7-8-25(21,22)24-17/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay				Bioorg Med Chem Lett 24: 1256-60 (2014) Article DOI: 10.1016/j.bmcl.2014.01.076 BindingDB Entry DOI: 10.7270/Q25B05FH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50087044 (CHEMBL3426540) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11| Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)	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	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair

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