Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'davis' and Initial = 'ra'   

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 1 (Homo sapiens (Human))	BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.70	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 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	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 Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/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	DrugBank PDB Article PubMed	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 alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB Article PubMed	18	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 alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	35	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 alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50110068 (3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	56	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 alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50122102 (3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...) Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374178 (CHEMBL411120) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc2n(Cc3cccc(c3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H17ClF3N3O2/c25-20-12-16(7-8-22(20)32)23(33)30-29-13-17-4-2-6-21-19(17)9-10-31(21)14-15-3-1-5-18(11-15)24(26,27)28/h1-13,32H,14H2,(H,30,33)/b29-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Mycobacterium tuberculosis)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	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 Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	130	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374184 (CHEMBL270677) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374179 (CHEMBL409325) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(cc2)C(C)C)c1OC Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-24-12-18(11-23(32-3)25(24)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374188 (CHEMBL270226) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC Show InChI InChI=1S/C27H29ClN2O5/c1-15-9-16(2)18(4)21(17(15)3)14-35-25-11-19(10-24(33-5)26(25)34-6)13-29-30-27(32)20-7-8-23(31)22(28)12-20/h7-13,31H,14H2,1-6H3,(H,30,32)/b29-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374187 (CHEMBL256379) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1 Show InChI InChI=1S/C23H21ClN2O5/c1-29-20-10-16(13-25-26-23(28)17-8-9-19(27)18(24)12-17)11-21(30-2)22(20)31-14-15-6-4-3-5-7-15/h3-13,27H,14H2,1-2H3,(H,26,28)/b25-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374177 (CHEMBL409729) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-6-7-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-4-3-5-17(8-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Mycobacterium tuberculosis)	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	210	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 Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	Article PubMed	240	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 alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (docked)
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374180 (CHEMBL404071) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(4-9-20(19)29)21(30)28-27-12-14-2-1-3-15(10-14)13-31-18-7-5-17(6-8-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	250	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 alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374186 (CHEMBL272122) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-10-16(7-8-20(19)29)21(30)28-27-12-14-3-1-4-15(9-14)13-31-18-6-2-5-17(11-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	370	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 Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428429 (FRAXINE) Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	370	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374183 (CHEMBL269990) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N2O4/c1-32-21-10-14(12-28-29-22(31)16-6-7-19(30)18(24)11-16)5-8-20(21)33-13-15-3-2-4-17(9-15)23(25,26)27/h2-12,30H,13H2,1H3,(H,29,31)/b28-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	480	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 Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374182 (CHEMBL272118) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H17ClN2O3/c22-19-12-17(8-11-20(19)25)21(26)24-23-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,25H,14H2,(H,24,26)/b23-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374181 (CHEMBL256837) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(6-9-20(19)29)21(30)28-27-12-14-4-7-18(8-5-14)31-13-15-2-1-3-17(10-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374185 (CHEMBL255824) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(7-8-20(19)29)21(30)28-27-12-14-3-2-6-18(10-14)31-13-15-4-1-5-17(9-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428436 (CHEMBL1995684) Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18| Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	600	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50421583 (GEIPARVARIN) Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18| Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50110055 (3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-be...) Show SMILES CC(C)c1ccc(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50206215 (7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...) Show SMILES COc1cc2ccc(=O)oc2c(O)c1O Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	610	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	610	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 Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428434 (CHEMBL2334004) Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22| Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50216276 ((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...) Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	620	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50428434 (CHEMBL2334004) Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22| Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	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 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428422 (CHEMBL2334352) Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	670	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50339596 (4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-di...) Show SMILES COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	700	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 alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428433 (CHEMBL2003049) Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50339591 ((+)-xylariamide A | (S)-3-(3-chloro-4-hydroxypheny...) Show SMILES COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	710	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 Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339597 (CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...) Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	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 Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50339599 (2-(3-chloro-4-hydroxyphenyl)-N-(3-methoxyphenethyl...) Show SMILES COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1 Show InChI InChI=1S/C17H18ClNO3/c1-22-14-4-2-3-12(9-14)7-8-19-17(21)11-13-5-6-16(20)15(18)10-13/h2-6,9-10,20H,7-8,11H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50216277 (4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...) Show SMILES COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339604 (CHEMBL605189 | N-butyl-2-(3-chloro-4-hydroxyphenyl...) Show SMILES CCCCNC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C12H16ClNO2/c1-2-3-6-14-12(16)8-9-4-5-11(15)10(13)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	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 Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 Show InChI InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	740	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 Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428432 (XANTHOXYLETIN) Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4| Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	740	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 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50339600 (2-(3-chloro-4-hydroxyphenyl)-N-(3,4-dimethoxyphene...) Show SMILES COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC Show InChI InChI=1S/C18H20ClNO4/c1-23-16-6-4-12(10-17(16)24-2)7-8-20-18(22)11-13-3-5-15(21)14(19)9-13/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	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 Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair

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