Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 7841   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 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))	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))	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
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))	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 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.469	-53.2	0.606	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 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 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	-53.1	0.597	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.513	-53.0	0.639	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.518	-53.0	0.619	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.523	-53.0	0.579	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))	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 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.549	-52.9	0.611	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.595	-52.7	0.655	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.603	-52.6	0.650	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.605	-52.6	0.597	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.636	-52.5	0.711	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))	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	0.747	-52.1	0.996	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)