Compile Data Set for Download or QSAR

Found 38851 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase I'   

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 2 (Homo sapiens (Human))	BDBM50570996 (CHEMBL4864797) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 by stopped-flow assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116140 BindingDB Entry DOI: 10.7270/Q2TM7FWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252992 (CHEMBL4100496) Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252998 (CHEMBL4105008) Show SMILES Clc1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-17-9-5-4-8-16(17)18-11-10-15(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252992 (CHEMBL4100496) Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252993 (CHEMBL4073678) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (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	DrugBank PDB PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252997 (CHEMBL4098116) Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H15ClN6O4S2/c22-13-6-8-16(17(10-13)28(30)31)18-9-7-15(32-18)11-23-25-19(29)12-33-21-27-26-20(34-21)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26)(H,25,29)/b23-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50258992 (CHEMBL4081323) Show SMILES O=C(CSC(=S)NN1CCOCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C15H19N3O4S2/c19-14(9-24-15(23)17-18-3-5-20-6-4-18)16-8-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.287	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-2				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258998 (CHEMBL4099344) Show SMILES O=C(CSC(=S)NN1CCSCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C15H19N3O3S3/c19-14(9-24-15(22)17-18-3-5-23-6-4-18)16-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.288	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252994 (CHEMBL4082551) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-4-2-1-3-5-15)24-22-12-17-10-11-18(31-17)14-6-8-16(9-7-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252996 (CHEMBL4097972) Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					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	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full length carbonic anhydrase-2 in human erythrocytes				Bioorg Med Chem Lett 23: 3496-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.048 BindingDB Entry DOI: 10.7270/Q2GH9KFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50258998 (CHEMBL4099344) Show SMILES O=C(CSC(=S)NN1CCSCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C15H19N3O3S3/c19-14(9-24-15(22)17-18-3-5-23-6-4-18)16-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.338	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-2				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252993 (CHEMBL4073678) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258992 (CHEMBL4081323) Show SMILES O=C(CSC(=S)NN1CCOCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C15H19N3O4S2/c19-14(9-24-15(23)17-18-3-5-20-6-4-18)16-8-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.346	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222054 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.245	-54.9	0.352	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222050 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...) Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.302	-54.3	0.353	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222046 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:24| Show InChI InChI=1S/C25H21NO4/c1-30-20-11-2-15(3-12-20)4-13-21(27)16-7-9-19(10-8-16)26-24(28)22-17-5-6-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b13-4+/t17-,18+,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.277	-54.5	0.356	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222051 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...) Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.258	-54.7	0.373	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222055 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-bromophenyl)acryloy...) Show SMILES Brc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C24H18BrNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.343	-54.0	0.382	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252996 (CHEMBL4097972) Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222048 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(p-tolyl)acryloyl)phen...) Show SMILES Cc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C25H21NO3/c1-15-2-4-16(5-3-15)6-13-21(27)17-9-11-20(12-10-17)26-24(28)22-18-7-8-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-6+/t18-,19+,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	-53.6	0.406	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252995 (CHEMBL4075535) Show SMILES Brc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16BrN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222056 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...) Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.379	-53.8	0.415	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222052 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-chlorophenyl)acrylo...) Show SMILES Clc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C24H18ClNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.361	-53.9	0.419	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222047 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryl...) Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:25| Show InChI InChI=1S/C25H21NO4/c1-30-20-4-2-3-15(13-20)5-12-21(27)16-8-10-19(11-9-16)26-24(28)22-17-6-7-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b12-5+/t17-,18+,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.337	-54.1	0.435	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222053 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-chlorophenyl)acrylo...) Show SMILES Clc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C24H18ClNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.377	-53.8	0.444	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222049 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phen...) Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C25H21NO3/c1-15-3-2-4-16(13-15)5-12-21(27)17-8-10-20(11-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b12-5+/t18-,19+,22-,23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.404	-53.6	0.449	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253005 (CHEMBL4076887) Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-16-8-6-13(10-17(16)23)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50537511 (CHEMBL4633178) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CC\C1=C/C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H15FN2O4S/c19-13-3-1-2-12(10-13)17(22)11-15-6-9-18(23)21(15)14-4-7-16(8-5-14)26(20,24)25/h1-5,7-8,10-11H,6,9H2,(H2,20,24,25)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50537510 (CHEMBL4644942) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CC\C1=C/C(=O)c1ccc(cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C18H14ClN3O6S/c19-16-9-13(22(25)26)3-7-15(16)17(23)10-12-4-8-18(24)21(12)11-1-5-14(6-2-11)29(20,27)28/h1-3,5-7,9-10H,4,8H2,(H2,20,27,28)/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222054 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.442	-53.4	0.466	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253004 (CHEMBL4072122) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-6-2-1-3-7-15)24-22-12-17-9-10-18(31-17)14-5-4-8-16(11-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50430551 (CHEMBL2336905) Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C21H19N5O4S2/c1-13-6-7-14(12-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-8-10-16(11-9-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.343	-54.0	0.485	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222058 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(thiophen-2-yl)acryloy...) Show SMILES O=C(\C=C\c1cccs1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:24| Show InChI InChI=1S/C22H17NO3S/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.412	-53.6	0.488	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222051 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...) Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.475	-53.2	0.506	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258995 (CHEMBL4060713) Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H24N4O3S2/c26-20(22-13-16-6-7-18-19(12-16)28-15-27-18)14-30-21(29)23-25-10-8-24(9-11-25)17-4-2-1-3-5-17/h1-7,12H,8-11,13-15H2,(H,22,26)(H,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.518	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252991 (CHEMBL4064130) Show SMILES Clc1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-6-4-5-14(11-15)18-10-9-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-7-2-1-3-8-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258993 (CHEMBL4062231) Show SMILES CN1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C16H22N4O3S2/c1-19-4-6-20(7-5-19)18-16(24)25-10-15(21)17-9-12-2-3-13-14(8-12)23-11-22-13/h2-3,8H,4-7,9-11H2,1H3,(H,17,21)(H,18,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.535	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222050 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...) Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.529	-52.9	0.537	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50041029 ((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...) Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222059 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...) Show SMILES O=C(\C=C\c1ccncc1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:25| Show InChI InChI=1S/C23H18N2O3/c26-19(8-1-14-9-11-24-12-10-14)15-4-6-18(7-5-15)25-22(27)20-16-2-3-17(13-16)21(20)23(25)28/h1-12,16-17,20-21H,13H2/b8-1+/t16-,17+,20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	-53.1	0.551	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM222057 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...) Show SMILES O=C(\C=C\c1ccco1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:24| Show InChI InChI=1S/C22H17NO4/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	-53.7	0.555	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258997 (CHEMBL4089189) Show SMILES O=C(CSC(=S)NN1CCCCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C16H21N3O3S2/c20-15(10-24-16(23)18-19-6-2-1-3-7-19)17-9-12-4-5-13-14(8-12)22-11-21-13/h4-5,8H,1-3,6-7,9-11H2,(H,17,20)(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.556	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253004 (CHEMBL4072122) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-6-2-1-3-7-15)24-22-12-17-9-10-18(31-17)14-5-4-8-16(11-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252991 (CHEMBL4064130) Show SMILES Clc1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-6-4-5-14(11-15)18-10-9-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-7-2-1-3-8-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222056 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...) Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.405	-53.6	0.573	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair

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