Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'gaspari' and Initial = 'm'   

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))	BDBM50367288 (CHEMBL4175989) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C26H19ClN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367330 (CHEMBL4168142) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)Nc4ccc(cc4)S(N)(=O)=O)c(C)c3cc12 Show InChI InChI=1S/C27H22N2O6S/c1-15-3-5-17(6-4-15)23-14-34-24-13-25-20(11-22(23)24)16(2)21(27(31)35-25)12-26(30)29-18-7-9-19(10-8-18)36(28,32)33/h3-11,13-14H,12H2,1-2H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367290 (CHEMBL4160871) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C26H20N2O6S/c1-15-19-11-21-22(16-5-3-2-4-6-16)14-33-23(21)13-24(19)34-26(30)20(15)12-25(29)28-17-7-9-18(10-8-17)35(27,31)32/h2-11,13-14H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271176 (CHEMBL4130085) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccccc1[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)14-9-7-13(8-10-14)17-19-21(12(2)24)18(29-17)15-5-3-4-6-16(15)22(25)26/h3-10,18H,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271193 (CHEMBL4129969) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(C)cc1)C(C)=O |t:14| Show InChI InChI=1S/C19H19N3O5S/c1-12-4-6-16(7-5-12)19-22(14(3)24)20-18(27-19)15-8-10-17(11-9-15)28(25,26)21-13(2)23/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					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 Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					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
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA12 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271194 (CHEMBL4127617) Show SMILES COc1ccccc1C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)15-10-8-14(9-11-15)18-20-22(13(2)24)19(28-18)16-6-4-5-7-17(16)27-3/h4-11,19H,1-3H3,(H,21,23)	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 Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271182 (CHEMBL4129897) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccccc1C)C(C)=O |t:14| Show InChI InChI=1S/C19H19N3O5S/c1-12-6-4-5-7-17(12)19-22(14(3)24)20-18(27-19)15-8-10-16(11-9-15)28(25,26)21-13(2)23/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271198 (CHEMBL4126627) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1cccc(c1)[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-8-6-13(7-9-16)17-19-21(12(2)24)18(29-17)14-4-3-5-15(10-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271196 (CHEMBL4126396) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(F)cc1)C(C)=O |t:14| Show InChI InChI=1S/C18H16FN3O5S/c1-11(23)21-28(25,26)16-9-5-13(6-10-16)17-20-22(12(2)24)18(27-17)14-3-7-15(19)8-4-14/h3-10,18H,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271202 (CHEMBL4126466) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(F)cc1F)C(C)=O |t:14| Show InChI InChI=1S/C18H15F2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367289 (CHEMBL1441824) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367294 (CHEMBL4160467) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C20H13ClO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367291 (CHEMBL1466024) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C20H14O5/c1-11-13-7-15-16(12-5-3-2-4-6-12)10-24-17(15)9-18(13)25-20(23)14(11)8-19(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA2 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
					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
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271184 (CHEMBL4128603) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1)C(C)=O |t:14| Show InChI InChI=1S/C18H16ClN3O5S/c1-11(23)21-28(25,26)16-9-5-13(6-10-16)17-20-22(12(2)24)18(27-17)14-3-7-15(19)8-4-14/h3-10,18H,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367290 (CHEMBL4160871) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C26H20N2O6S/c1-15-19-11-21-22(16-5-3-2-4-6-16)14-33-23(21)13-24(19)34-26(30)20(15)12-25(29)28-17-7-9-18(10-8-17)35(27,31)32/h2-11,13-14H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367291 (CHEMBL1466024) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C20H14O5/c1-11-13-7-15-16(12-5-3-2-4-6-12)10-24-17(15)9-18(13)25-20(23)14(11)8-19(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367289 (CHEMBL1441824) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367288 (CHEMBL4175989) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C26H19ClN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA9 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367287 (CHEMBL4168368) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12 Show InChI InChI=1S/C21H16O5/c1-11-3-5-13(6-4-11)17-10-25-18-9-19-14(7-16(17)18)12(2)15(8-20(22)23)21(24)26-19/h3-7,9-10H,8H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50367295 (CHEMBL4172130) Show SMILES COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O Show InChI InChI=1S/C21H17ClO6/c1-12-16-8-7-15(27-11-18(23)13-3-5-14(22)6-4-13)9-19(16)28-21(25)17(12)10-20(24)26-2/h3-9H,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					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 Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271177 (CHEMBL4127857) Show SMILES COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-9-7-14(8-10-17)18-20-22(13(2)24)19(28-18)15-5-4-6-16(11-15)27-3/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271195 (CHEMBL4127781) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(cc1)[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-9-5-13(6-10-16)17-19-21(12(2)24)18(29-17)14-3-7-15(8-4-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)	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 Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271197 (CHEMBL4126823) Show SMILES COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-10-6-14(7-11-17)18-20-22(13(2)24)19(28-18)15-4-8-16(27-3)9-5-15/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271198 (CHEMBL4126627) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1cccc(c1)[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-8-6-13(7-9-16)17-19-21(12(2)24)18(29-17)14-4-3-5-15(10-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50271196 (CHEMBL4126396) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(F)cc1)C(C)=O |t:14| Show InChI InChI=1S/C18H16FN3O5S/c1-11(23)21-28(25,26)16-9-5-13(6-10-16)17-20-22(12(2)24)18(27-17)14-3-7-15(19)8-4-14/h3-10,18H,1-2H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367290 (CHEMBL4160871) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C26H20N2O6S/c1-15-19-11-21-22(16-5-3-2-4-6-16)14-33-23(21)13-24(19)34-26(30)20(15)12-25(29)28-17-7-9-18(10-8-17)35(27,31)32/h2-11,13-14H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271195 (CHEMBL4127781) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(cc1)[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-9-5-13(6-10-16)17-19-21(12(2)24)18(29-17)14-3-7-15(8-4-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367352 (CHEMBL4171486) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Show InChI InChI=1S/C26H19FN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50467992 (CHEMBL4282681) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA2 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50271183 (CHEMBL4129095) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(cc1)C(F)(F)F)C(C)=O |t:14| Show InChI InChI=1S/C19H16F3N3O5S/c1-11(26)24-31(28,29)16-9-5-13(6-10-16)17-23-25(12(2)27)18(30-17)14-3-7-15(8-4-14)19(20,21)22/h3-10,18H,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367288 (CHEMBL4175989) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C26H19ClN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367334 (CHEMBL4161531) Show SMILES COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)cc2oc1=O Show InChI InChI=1S/C22H20O6/c1-13-4-6-15(7-5-13)19(23)12-27-16-8-9-17-14(2)18(11-21(24)26-3)22(25)28-20(17)10-16/h4-10H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50271185 (CHEMBL4128942) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1Cl)C(C)=O |t:14| Show InChI InChI=1S/C18H15Cl2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50467994 (CHEMBL4279217) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1-c1ccccc1 Show InChI InChI=1S/C19H15N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h1-13H,(H2,20,23,24)/b21-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA12 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
					More data for this Ligand-Target Pair

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