Compile Data Set for Download or QSAR

Found 416 hits with Last Name = 'moeker' and Initial = 'j'   

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))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028308 (CHEMBL3342254) Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028268 (CHEMBL3342249) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r| Show InChI InChI=1S/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028267 (CHEMBL3342250) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028266 (CHEMBL3342251) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r| Show InChI InChI=1S/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028308 (CHEMBL3342254) Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028279 (CHEMBL3342255) Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028271 (CHEMBL3342257) Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/m1/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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366063 (CHEMBL1956769) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366059 (CHEMBL1956765) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C15H23N3O7S2/c16-27(23,24)9-3-1-8(2-4-9)5-6-17-15(26)18-14-13(22)12(21)11(20)10(7-19)25-14/h1-4,10-14,19-22H,5-7H2,(H2,16,23,24)(H2,17,18,26)/t10-,11+,12+,13-,14-/m1/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366076 (CHEMBL1956750) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50028308 (CHEMBL3342254) Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50494688 (CHEMBL3092819) Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50494688 (CHEMBL3092819) Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23+,24+,25-,26-/m1/s1	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366074 (CHEMBL1956748) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18+,19+,20-,21-/m1/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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50494691 (CHEMBL3092812) Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366052 (CHEMBL1956758) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372662 (CHEMBL272877) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C14H18N4O7S/c15-26(23,24)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(22)12(21)11(20)10(6-19)25-14/h1-5,10-14,19-22H,6H2,(H2,15,23,24)/t10-,11+,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366058 (CHEMBL1956764) Show SMILES NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H21N3O7S2/c15-26(22,23)8-3-1-7(2-4-8)5-16-14(25)17-13-12(21)11(20)10(19)9(6-18)24-13/h1-4,9-13,18-21H,5-6H2,(H2,15,22,23)(H2,16,17,25)/t9-,10+,11+,12-,13-/m1/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	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366065 (CHEMBL1956771) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366069 (CHEMBL1956743) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/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	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50494697 (CHEMBL3092818) Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-9-23(35)41-18-22-27(43-24(36)10-6-2)28(44-25(37)11-7-3)29(45-26(38)12-8-4)30(42-22)34-17-21(32-33-34)19-13-15-20(16-14-19)46(31,39)40/h13-17,22,27-30H,5-12,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366057 (CHEMBL1956763) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9+,10+,11-,12-/m1/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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366053 (CHEMBL1956759) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C13H19N3O7S2/c14-25(21,22)7-3-1-6(2-4-7)15-13(24)16-12-11(20)10(19)9(18)8(5-17)23-12/h1-4,8-12,17-20H,5H2,(H2,14,21,22)(H2,15,16,24)/t8-,9-,10+,11-,12-/m1/s1	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366069 (CHEMBL1956743) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366069 (CHEMBL1956743) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366072 (CHEMBL1956746) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17-,18+,19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/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	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366073 (CHEMBL1956747) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C21H27N3O11S2/c1-10(25)31-9-16-17(32-11(2)26)18(33-12(3)27)19(34-13(4)28)20(35-16)24-21(36)23-14-5-7-15(8-6-14)37(22,29)30/h5-8,16-20H,9H2,1-4H3,(H2,22,29,30)(H2,23,24,36)/t16-,17+,18+,19-,20-/m1/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	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366046 (CHEMBL1956752) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366071 (CHEMBL1956745) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19-,20+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366068 (CHEMBL1956774) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N4O13S2/c21-39(33,34)8-3-1-7(2-4-8)17(32)23-24-20(38)22-18-14(30)13(29)16(10(6-26)35-18)37-19-15(31)12(28)11(27)9(5-25)36-19/h1-4,9-16,18-19,25-31H,5-6H2,(H,23,32)(H2,21,33,34)(H2,22,24,38)/t9-,10-,11+,12+,13-,14-,15-,16-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366077 (CHEMBL1956751) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/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	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366070 (CHEMBL1956744) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/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	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50494695 (CHEMBL3092943) Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1	PDB MMDB 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366046 (CHEMBL1956752) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366061 (CHEMBL1956767) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H29N3O12S2/c20-36(30,31)8-3-1-7(2-4-8)21-19(35)22-17-14(28)13(27)16(10(6-24)32-17)34-18-15(29)12(26)11(25)9(5-23)33-18/h1-4,9-18,23-29H,5-6H2,(H2,20,30,31)(H2,21,22,35)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366070 (CHEMBL1956744) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366048 (CHEMBL1956754) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25-,26-,27+,28+,29-,30-,32-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50366063 (CHEMBL1956769) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366076 (CHEMBL1956750) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NNC(=O)c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C22H28N4O12S2/c1-10(27)34-9-16-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)21(38-16)24-22(39)26-25-20(31)14-5-7-15(8-6-14)40(23,32)33/h5-8,16-19,21H,9H2,1-4H3,(H,25,31)(H2,23,32,33)(H2,24,26,39)/t16-,17+,18+,19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366070 (CHEMBL1956744) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H29N3O11S2/c1-11(26)32-10-17-18(33-12(2)27)19(34-13(3)28)20(35-14(4)29)21(36-17)25-22(37)24-9-15-5-7-16(8-6-15)38(23,30)31/h5-8,17-21H,9-10H2,1-4H3,(H2,23,30,31)(H2,24,25,37)/t17-,18-,19+,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair

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