Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'houston' and Initial = 'ta'   

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))	BDBM12941 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[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 Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/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	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12916 (CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50200451 (4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,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	1.10	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[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 Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/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	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.5	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12943 (4-sulfamoyl-N-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydr...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C17H23N5O8S/c1-29-17-15(25)14(24)13(23)12(30-17)8-22-7-10(20-21-22)6-19-16(26)9-2-4-11(5-3-9)31(18,27)28/h2-5,7,12-15,17,23-25H,6,8H2,1H3,(H,19,26)(H2,18,27,28)/t12-,13-,14+,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM15231 (4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)7-24-14-13(21)12(20)11(6-19)25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12918 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...) 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)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)37-11-19-20(38-13(2)31)21(39-14(3)32)22(40-15(4)33)24(41-19)29-10-17(27-28-29)9-26-23(34)16-5-7-18(8-6-16)42(25,35)36/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,34)(H2,25,35,36)/t19-,20-,21+,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12929 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12936 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C23H26N4O13S/c1-11(28)37-17-18(38-12(2)29)20(23(32)35-4)40-21(19(17)39-13(3)30)27-9-15(25-26-27)10-36-22(31)14-5-7-16(8-6-14)41(24,33)34/h5-9,17-21H,10H2,1-4H3,(H2,24,33,34)/t17-,18-,19+,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM15224 (4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...) Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-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/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12924 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...) 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)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20+,21+,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM15230 (4-[4-({[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}m...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COC2OC[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r,w:15.15| Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)6-24-14-13(21)12(20)11(19)7-25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13+,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM15224 (4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...) Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-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/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/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	-46.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM15228 (4-[4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydro...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O8S/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-26-15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12921 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12-,13+,14-,15-/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12936 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C23H26N4O13S/c1-11(28)37-17-18(38-12(2)29)20(23(32)35-4)40-21(19(17)39-13(3)30)27-9-15(25-26-27)10-36-22(31)14-5-7-16(8-6-14)41(24,33)34/h5-9,17-21H,10H2,1-4H3,(H2,24,33,34)/t17-,18-,19+,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12921 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12937 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H20N4O10S/c1-29-17(26)14-12(23)11(22)13(24)15(31-14)21-6-9(19-20-21)7-30-16(25)8-2-4-10(5-3-8)32(18,27)28/h2-6,11-15,22-24H,7H2,1H3,(H2,18,27,28)/t11-,12-,13+,14-,15+/m0/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12941 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[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 Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/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	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12945 ((1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyox...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C17H22N4O9S/c1-28-17-15(24)14(23)13(22)12(30-17)7-21-6-10(19-20-21)8-29-16(25)9-2-4-11(5-3-9)31(18,26)27/h2-6,12-15,17,22-24H,7-8H2,1H3,(H2,18,26,27)/t12-,13-,14+,15-,17+/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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12933 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C18H23N5O9S/c1-9(25)20-14-16(27)15(26)13(7-24)32-17(14)23-6-11(21-22-23)8-31-18(28)10-2-4-12(5-3-10)33(19,29)30/h2-6,13-17,24,26-27H,7-8H2,1H3,(H,20,25)(H2,19,29,30)/t13-,14-,15-,16-,17-/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM15232 (4-(4-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyr...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[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)nn1 |r| Show InChI InChI=1S/C21H30N4O13S/c22-39(33,34)11-3-1-10(2-4-11)25-5-9(23-24-25)8-35-20-18(32)16(30)19(13(7-27)37-20)38-21-17(31)15(29)14(28)12(6-26)36-21/h1-5,12-21,26-32H,6-8H2,(H2,22,33,34)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.30	-46.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12928 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...) Show SMILES CC(=O)O[C@@H]1CO[C@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C21H24N4O11S/c1-11(26)34-17-10-32-20(19(36-13(3)28)18(17)35-12(2)27)25-8-15(23-24-25)9-33-21(29)14-4-6-16(7-5-14)37(22,30)31/h4-8,17-20H,9-10H2,1-3H3,(H2,22,30,31)/t17-,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12923 (4-(4-Sulfamoylbenzamido)methyl-1-(beta-D-galactopy...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12+,13+,14-,16-/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12937 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H20N4O10S/c1-29-17(26)14-12(23)11(22)13(24)15(31-14)21-6-9(19-20-21)7-30-16(25)8-2-4-10(5-3-8)32(18,27)28/h2-6,11-15,22-24H,7H2,1H3,(H2,18,27,28)/t11-,12-,13+,14-,15+/m0/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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12933 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C18H23N5O9S/c1-9(25)20-14-16(27)15(26)13(7-24)32-17(14)23-6-11(21-22-23)8-31-18(28)10-2-4-12(5-3-10)33(19,29)30/h2-6,13-17,24,26-27H,7-8H2,1H3,(H,20,25)(H2,19,29,30)/t13-,14-,15-,16-,17-/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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12938 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(hept...) Show SMILES CC(=O)OC[C@H]1O[C@H]([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)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H45N5O20S/c1-16(42)52-14-26-29(61-36-33(58-22(7)48)31(56-20(5)46)28(54-18(3)44)27(60-36)15-53-17(2)43)30(55-19(4)45)32(57-21(6)47)35(59-26)41-13-24(39-40-41)12-38-34(49)23-8-10-25(11-9-23)62(37,50)51/h8-11,13,26-33,35-36H,12,14-15H2,1-7H3,(H,38,49)(H2,37,50,51)/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36-/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12924 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...) 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)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20+,21+,22-,23-/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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12925 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12+,13+,14-,15-/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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12934 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C23H27N5O12S/c1-11(29)37-17-18(38-12(2)30)20(23(33)36-4)40-22(19(17)39-13(3)31)28-10-15(26-27-28)9-25-21(32)14-5-7-16(8-6-14)41(24,34)35/h5-8,10,17-20,22H,9H2,1-4H3,(H,25,32)(H2,24,34,35)/t17-,18-,19+,20-,22+/m0/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					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50200449 (4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...) Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C21H24N4O11S/c1-11(26)34-17-10-32-20(19(36-13(3)28)18(17)35-12(2)27)25-8-15(23-24-25)9-33-21(29)14-4-6-16(7-5-14)37(22,30)31/h4-8,17-20H,9-10H2,1-3H3,(H2,22,30,31)/t17-,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	7.60	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM15226 (4-(4-{[(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)o...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)nn1 |r| Show InChI InChI=1S/C35H30N4O10S/c36-50(43,44)28-18-16-27(17-19-28)39-20-26(37-38-39)21-46-35-31(49-34(42)25-14-8-3-9-15-25)30(48-33(41)24-12-6-2-7-13-24)29(47-35)22-45-32(40)23-10-4-1-5-11-23/h1-20,29-31,35H,21-22H2,(H2,36,43,44)/t29-,30-,31-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	-46.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([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)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12920 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...) 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)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20-,21+,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12929 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	-46.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM15227 (4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...) Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-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/C35H44N4O20S/c1-16(40)49-14-26-28(52-18(3)42)30(53-19(4)43)33(56-22(7)46)35(58-26)59-29-27(15-50-17(2)41)57-34(32(55-21(6)45)31(29)54-20(5)44)51-13-23-12-39(38-37-23)24-8-10-25(11-9-24)60(36,47)48/h8-12,26-35H,13-15H2,1-7H3,(H2,36,47,48)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12938 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(hept...) Show SMILES CC(=O)OC[C@H]1O[C@H]([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)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H45N5O20S/c1-16(42)52-14-26-29(61-36-33(58-22(7)48)31(56-20(5)46)28(54-18(3)44)27(60-36)15-53-17(2)43)30(55-19(4)45)32(57-21(6)47)35(59-26)41-13-24(39-40-41)12-38-34(49)23-8-10-25(11-9-23)62(37,50)51/h8-11,13,26-33,35-36H,12,14-15H2,1-7H3,(H,38,49)(H2,37,50,51)/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12942 ((2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-methoxy-2-[(...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H29N5O11S/c1-12(29)36-19-18(39-23(35-4)21(38-14(3)31)20(19)37-13(2)30)11-28-10-16(26-27-28)9-25-22(32)15-5-7-17(8-6-15)40(24,33)34/h5-8,10,18-21,23H,9,11H2,1-4H3,(H,25,32)(H2,24,33,34)/t18-,19-,20+,21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12925 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12+,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM15227 (4-[4-({[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-ac...) Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-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/C35H44N4O20S/c1-16(40)49-14-26-28(52-18(3)42)30(53-19(4)43)33(56-22(7)46)35(58-26)59-29-27(15-50-17(2)41)57-34(32(55-21(6)45)31(29)54-20(5)44)51-13-23-12-39(38-37-23)24-8-10-25(11-9-24)60(36,47)48/h8-12,26-35H,13-15H2,1-7H3,(H2,36,47,48)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	-46.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12919 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12-,13+,14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12917 (CHEMBL217569 | O-propynyl ester derivative 3 | Pro...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCC#C Show InChI InChI=1S/C10H9NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h1,3-6H,7H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM15230 (4-[4-({[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}m...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COC2OC[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r,w:15.15| Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)6-24-14-13(21)12(20)11(19)7-25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13+,14?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	-46.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
					More data for this Ligand-Target Pair

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