Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7416   

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))	BDBM193743 (Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...) Show SMILES CCCC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OCC Show InChI InChI=1S/C29H28N12O9S4/c1-3-9-18(42)20(25(45)50-4-2)35-34-16-12-8-13-17(14-16)41-22(15-10-6-5-7-11-15)19(23(43)32-26-36-38-28(51-26)53(30,46)47)21(40-41)24(44)33-27-37-39-29(52-27)54(31,48)49/h5-8,10-14,34H,3-4,9H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193747 (Methyl 2-((3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3,4-...) Show SMILES COC(=O)C(\N=N\c1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H24N12O10S5/c1-52-26(45)25(55(46,47)19-13-6-3-7-14-19)36-35-17-11-8-12-18(15-17)42-22(16-9-4-2-5-10-16)20(23(43)33-27-37-39-29(53-27)56(31,48)49)21(41-42)24(44)34-28-38-40-30(54-28)57(32,50)51/h2-15,25H,1H3,(H2,31,48,49)(H2,32,50,51)(H,33,37,43)(H,34,38,44)/b36-35+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193738 (1-(3-(2-(1,3-Dioxo-1-phenylbutan-2-ylidene)hydrazi...) Show SMILES CC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C31H24N12O8S4/c1-16(44)22(25(45)18-11-6-3-7-12-18)37-36-19-13-8-14-20(15-19)43-24(17-9-4-2-5-10-17)21(26(46)34-28-38-40-30(52-28)54(32,48)49)23(42-43)27(47)35-29-39-41-31(53-29)55(33,50)51/h2-15,36H,1H3,(H2,32,48,49)(H2,33,50,51)(H,34,38,46)(H,35,39,47)/b37-22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193738 (1-(3-(2-(1,3-Dioxo-1-phenylbutan-2-ylidene)hydrazi...) Show SMILES CC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C31H24N12O8S4/c1-16(44)22(25(45)18-11-6-3-7-12-18)37-36-19-13-8-14-20(15-19)43-24(17-9-4-2-5-10-17)21(26(46)34-28-38-40-30(52-28)54(32,48)49)23(42-43)27(47)35-29-39-41-31(53-29)55(33,50)51/h2-15,36H,1H3,(H2,32,48,49)(H2,33,50,51)(H,34,38,46)(H,35,39,47)/b37-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193744 (tert-Butyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulf...) Show SMILES CC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C29H28N12O9S4/c1-14(42)19(24(45)50-29(2,3)4)35-34-16-11-8-12-17(13-16)41-21(15-9-6-5-7-10-15)18(22(43)32-25-36-38-27(51-25)53(30,46)47)20(40-41)23(44)33-26-37-39-28(52-26)54(31,48)49/h5-13,34H,1-4H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193745 (1-(3-((2-Hydroxy-6-oxocyclohex-1-en-1-yl)diazenyl)...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6]-3/[#6](=O)-[#6]-[#6]-[#6]-[#6]-3=O)c2)s1 Show InChI InChI=1S/C27H22N12O8S4/c28-50(44,45)26-36-34-24(48-26)30-22(42)18-20(23(43)31-25-35-37-27(49-25)51(29,46)47)38-39(21(18)13-6-2-1-3-7-13)15-9-4-8-14(12-15)32-33-19-16(40)10-5-11-17(19)41/h1-4,6-9,12,32H,5,10-11H2,(H2,28,44,45)(H2,29,46,47)(H,30,34,42)(H,31,35,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193742 (Diethyl 2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H26N12O10S4/c1-3-49-23(43)19(24(44)50-4-2)34-33-15-11-8-12-16(13-15)40-20(14-9-6-5-7-10-14)17(21(41)31-25-35-37-27(51-25)53(29,45)46)18(39-40)22(42)32-26-36-38-28(52-26)54(30,47)48/h5-13,33H,3-4H2,1-2H3,(H2,29,45,46)(H2,30,47,48)(H,31,35,41)(H,32,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193739 (Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...) Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(C)=O Show InChI InChI=1S/C27H24N12O9S4/c1-3-48-23(43)18(13(2)40)33-32-15-10-7-11-16(12-15)39-20(14-8-5-4-6-9-14)17(21(41)30-24-34-36-26(49-24)51(28,44)45)19(38-39)22(42)31-25-35-37-27(50-25)52(29,46)47/h4-12,32H,3H2,1-2H3,(H2,28,44,45)(H2,29,46,47)(H,30,34,41)(H,31,35,42)/b33-18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193743 (Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...) Show SMILES CCCC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OCC Show InChI InChI=1S/C29H28N12O9S4/c1-3-9-18(42)20(25(45)50-4-2)35-34-16-12-8-13-17(14-16)41-22(15-10-6-5-7-11-15)19(23(43)32-26-36-38-28(51-26)53(30,46)47)21(40-41)24(44)33-27-37-39-29(52-27)54(31,48)49/h5-8,10-14,34H,3-4,9H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193746 (1-(3-((2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1...) Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2cccc(c2)-n2nc(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c2-c2ccccc2)-[#6](=O)-[#6]1 Show InChI InChI=1S/C29H26N12O8S4/c1-29(2)12-17(42)20(18(43)13-29)35-34-15-9-6-10-16(11-15)41-22(14-7-4-3-5-8-14)19(23(44)32-25-36-38-27(50-25)52(30,46)47)21(40-41)24(45)33-26-37-39-28(51-26)53(31,48)49/h3-11,34H,12-13H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,44)(H,33,37,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193747 (Methyl 2-((3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3,4-...) Show SMILES COC(=O)C(\N=N\c1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H24N12O10S5/c1-52-26(45)25(55(46,47)19-13-6-3-7-14-19)36-35-17-11-8-12-18(15-17)42-22(16-9-4-2-5-10-16)20(23(43)33-27-37-39-29(53-27)56(31,48)49)21(41-42)24(44)34-28-38-40-30(54-28)57(32,50)51/h2-15,25H,1H3,(H2,31,48,49)(H2,32,50,51)(H,33,37,43)(H,34,38,44)/b36-35+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193736 (1-(3-((2-Hydroxynaphthalen-1-yl)diazenyl)phenyl)-5...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)Nc2nnc(s2)S(N)(=O)=O)-c2ccccc2)-c2cccc(c2)\N=N\c2c(O)ccc3ccccc23)s1 Show InChI InChI=1S/C31H22N12O7S4/c32-53(47,48)30-40-38-28(51-30)34-26(45)22-24(27(46)35-29-39-41-31(52-29)54(33,49)50)42-43(25(22)17-8-2-1-3-9-17)19-11-6-10-18(15-19)36-37-23-20-12-5-4-7-16(20)13-14-21(23)44/h1-15,44H,(H2,32,47,48)(H2,33,49,50)(H,34,38,45)(H,35,39,46)/b37-36+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193741 (Ethyl 3-oxo-3-phenyl-2-(2-(3-(5-phenyl-3,4-bis((5-...) Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C32H26N12O9S4/c1-2-53-28(48)23(25(45)18-12-7-4-8-13-18)38-37-19-14-9-15-20(16-19)44-24(17-10-5-3-6-11-17)21(26(46)35-29-39-41-31(54-29)56(33,49)50)22(43-44)27(47)36-30-40-42-32(55-30)57(34,51)52/h3-16,37H,2H2,1H3,(H2,33,49,50)(H2,34,51,52)(H,35,39,46)(H,36,40,47)/b38-23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193742 (Diethyl 2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H26N12O10S4/c1-3-49-23(43)19(24(44)50-4-2)34-33-15-11-8-12-16(13-15)40-20(14-9-6-5-7-10-14)17(21(41)31-25-35-37-27(51-25)53(29,45)46)18(39-40)22(42)32-26-36-38-28(52-26)54(30,47)48/h5-13,33H,3-4H2,1-2H3,(H2,29,45,46)(H2,30,47,48)(H,31,35,41)(H,32,36,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	461	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193741 (Ethyl 3-oxo-3-phenyl-2-(2-(3-(5-phenyl-3,4-bis((5-...) Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C32H26N12O9S4/c1-2-53-28(48)23(25(45)18-12-7-4-8-13-18)38-37-19-14-9-15-20(16-19)44-24(17-10-5-3-6-11-17)21(26(46)35-29-39-41-31(54-29)56(33,49)50)22(43-44)27(47)36-30-40-42-32(55-30)57(34,51)52/h3-16,37H,2H2,1H3,(H2,33,49,50)(H2,34,51,52)(H,35,39,46)(H,36,40,47)/b38-23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193737 (1-(3-(2-(2,4-Dioxopentan-3-ylidene)hydrazinyl)phen...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C26H22N12O8S4/c1-12(39)18(13(2)40)32-31-15-9-6-10-16(11-15)38-20(14-7-4-3-5-8-14)17(21(41)29-23-33-35-25(47-23)49(27,43)44)19(37-38)22(42)30-24-34-36-26(48-24)50(28,45)46/h3-11,31H,1-2H3,(H2,27,43,44)(H2,28,45,46)(H,29,33,41)(H,30,34,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193745 (1-(3-((2-Hydroxy-6-oxocyclohex-1-en-1-yl)diazenyl)...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6]-3/[#6](=O)-[#6]-[#6]-[#6]-[#6]-3=O)c2)s1 Show InChI InChI=1S/C27H22N12O8S4/c28-50(44,45)26-36-34-24(48-26)30-22(42)18-20(23(43)31-25-35-37-27(49-25)51(29,46)47)38-39(21(18)13-6-2-1-3-7-13)15-9-4-8-14(12-15)32-33-19-16(40)10-5-11-17(19)41/h1-4,6-9,12,32H,5,10-11H2,(H2,28,44,45)(H2,29,46,47)(H,30,34,42)(H,31,35,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193744 (tert-Butyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulf...) Show SMILES CC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C29H28N12O9S4/c1-14(42)19(24(45)50-29(2,3)4)35-34-16-11-8-12-17(13-16)41-21(15-9-6-5-7-10-15)18(22(43)32-25-36-38-27(51-25)53(30,46)47)20(40-41)23(44)33-26-37-39-28(52-26)54(31,48)49/h5-13,34H,1-4H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193739 (Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...) Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(C)=O Show InChI InChI=1S/C27H24N12O9S4/c1-3-48-23(43)18(13(2)40)33-32-15-10-7-11-16(12-15)39-20(14-8-5-4-6-9-14)17(21(41)30-24-34-36-26(49-24)51(28,44)45)19(38-39)22(42)31-25-35-37-27(50-25)52(29,46)47/h4-12,32H,3H2,1-2H3,(H2,28,44,45)(H2,29,46,47)(H,30,34,41)(H,31,35,42)/b33-18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193737 (1-(3-(2-(2,4-Dioxopentan-3-ylidene)hydrazinyl)phen...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C26H22N12O8S4/c1-12(39)18(13(2)40)32-31-15-9-6-10-16(11-15)38-20(14-7-4-3-5-8-14)17(21(41)29-23-33-35-25(47-23)49(27,43)44)19(37-38)22(42)30-24-34-36-26(48-24)50(28,45)46/h3-11,31H,1-2H3,(H2,27,43,44)(H2,28,45,46)(H,29,33,41)(H,30,34,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	767	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193746 (1-(3-((2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1...) Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2cccc(c2)-n2nc(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c2-c2ccccc2)-[#6](=O)-[#6]1 Show InChI InChI=1S/C29H26N12O8S4/c1-29(2)12-17(42)20(18(43)13-29)35-34-15-9-6-10-16(11-15)41-22(14-7-4-3-5-8-14)19(23(44)32-25-36-38-27(50-25)52(30,46)47)21(40-41)24(45)33-26-37-39-28(51-26)53(31,48)49/h3-11,34H,12-13H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,44)(H,33,37,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	787	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193740 (1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hy...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1 Show InChI InChI=1S/C36H26N12O8S4/c37-59(53,54)35-45-43-33(57-35)39-31(51)25-26(32(52)40-34-44-46-36(58-34)60(38,55)56)47-48(28(25)20-11-4-1-5-12-20)24-18-10-17-23(19-24)41-42-27(29(49)21-13-6-2-7-14-21)30(50)22-15-8-3-9-16-22/h1-19,41H,(H2,37,53,54)(H2,38,55,56)(H,39,43,51)(H,40,44,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	878	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193736 (1-(3-((2-Hydroxynaphthalen-1-yl)diazenyl)phenyl)-5...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)Nc2nnc(s2)S(N)(=O)=O)-c2ccccc2)-c2cccc(c2)\N=N\c2c(O)ccc3ccccc23)s1 Show InChI InChI=1S/C31H22N12O7S4/c32-53(47,48)30-40-38-28(51-30)34-26(45)22-24(27(46)35-29-39-41-31(52-29)54(33,49)50)42-43(25(22)17-8-2-1-3-9-17)19-11-6-10-18(15-19)36-37-23-20-12-5-4-7-16(20)13-14-21(23)44/h1-15,44H,(H2,32,47,48)(H2,33,49,50)(H,34,38,45)(H,35,39,46)/b37-36+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM193740 (1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hy...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1 Show InChI InChI=1S/C36H26N12O8S4/c37-59(53,54)35-45-43-33(57-35)39-31(51)25-26(32(52)40-34-44-46-36(58-34)60(38,55)56)47-48(28(25)20-11-4-1-5-12-20)24-18-10-17-23(19-24)41-42-27(29(49)21-13-6-2-7-14-21)30(50)22-15-8-3-9-16-22/h1-19,41H,(H2,37,53,54)(H2,38,55,56)(H,39,43,51)(H,40,44,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
					More data for this Ligand-Target Pair