Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50032513   

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))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) 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)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330338 (CHEMBL1276017 | Ethyl1-(3-(2-(2,4-dioxopentan-3-yl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](-[#6])=O)-[#6](-[#6])=O)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C26H24N8O7S2/c1-4-41-24(38)19-21(23(37)28-25-31-32-26(42-25)43(27,39)40)33-34(22(19)16-9-6-5-7-10-16)18-12-8-11-17(13-18)29-30-20(14(2)35)15(3)36/h5-13,29H,4H2,1-3H3,(H2,27,39,40)(H,28,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330334 (CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330338 (CHEMBL1276017 | Ethyl1-(3-(2-(2,4-dioxopentan-3-yl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](-[#6])=O)-[#6](-[#6])=O)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C26H24N8O7S2/c1-4-41-24(38)19-21(23(37)28-25-31-32-26(42-25)43(27,39)40)33-34(22(19)16-9-6-5-7-10-16)18-12-8-11-17(13-18)29-30-20(14(2)35)15(3)36/h5-13,29H,4H2,1-3H3,(H2,27,39,40)(H,28,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) 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)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330334 (CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330329 (CHEMBL1276019 | Ethyl 1-(3-(2-(1,3-dioxo-1,3-diphe...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](=O)-c2ccccc2)-[#6](=O)-c2ccccc2)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)27-28(33(47)38-35-41-42-36(52-35)53(37,49)50)43-44(30(27)22-13-6-3-7-14-22)26-20-12-19-25(21-26)39-40-29(31(45)23-15-8-4-9-16-23)32(46)24-17-10-5-11-18-24/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330329 (CHEMBL1276019 | Ethyl 1-(3-(2-(1,3-dioxo-1,3-diphe...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](=O)-c2ccccc2)-[#6](=O)-c2ccccc2)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)27-28(33(47)38-35-41-42-36(52-35)53(37,49)50)43-44(30(27)22-13-6-3-7-14-22)26-20-12-19-25(21-26)39-40-29(31(45)23-15-8-4-9-16-23)32(46)24-17-10-5-11-18-24/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330339 (CHEMBL1276018 | Ethyl1-(3-(2-(1,3-dioxo-1-phenylbu...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)c2ccccc2)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) 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)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330334 (CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330338 (CHEMBL1276017 | Ethyl1-(3-(2-(2,4-dioxopentan-3-yl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](-[#6])=O)-[#6](-[#6])=O)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C26H24N8O7S2/c1-4-41-24(38)19-21(23(37)28-25-31-32-26(42-25)43(27,39)40)33-34(22(19)16-9-6-5-7-10-16)18-12-8-11-17(13-18)29-30-20(14(2)35)15(3)36/h5-13,29H,4H2,1-3H3,(H2,27,39,40)(H,28,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330334 (CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330336 (CHEMBL1276016 | Ethyl1-(3-((4-hydroxyphenyl)diazen...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1ccc(O)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C27H22N8O6S2/c1-2-41-25(38)21-22(24(37)29-26-32-33-27(42-26)43(28,39)40)34-35(23(21)16-7-4-3-5-8-16)19-10-6-9-18(15-19)31-30-17-11-13-20(36)14-12-17/h3-15,36H,2H2,1H3,(H2,28,39,40)(H,29,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330337 (CHEMBL1276394 | Ethyl1-(3-iodophenyl)-5-phenyl-3-(...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(I)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H17IN6O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) 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)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330332 (CHEMBL1276022 | Diethyl 2-(2-(3-(4-(ethoxycarbonyl...) 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)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H28N8O9S2/c1-4-43-24(38)19-20(23(37)30-27-33-34-28(46-27)47(29,41)42)35-36(22(19)16-11-8-7-9-12-16)18-14-10-13-17(15-18)31-32-21(25(39)44-5-2)26(40)45-6-3/h7-15,31H,4-6H2,1-3H3,(H2,29,41,42)(H,30,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330333 (CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330331 (CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330338 (CHEMBL1276017 | Ethyl1-(3-(2-(2,4-dioxopentan-3-yl...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1c(nn(c1-c1ccccc1)-c1cccc(-[#7]\[#7]=[#6](/[#6](-[#6])=O)-[#6](-[#6])=O)c1)-[#6](=O)-[#7]-c1nnc(s1)S([#7])(=O)=O Show InChI InChI=1S/C26H24N8O7S2/c1-4-41-24(38)19-21(23(37)28-25-31-32-26(42-25)43(27,39)40)33-34(22(19)16-9-6-5-7-10-16)18-12-8-11-17(13-18)29-30-20(14(2)35)15(3)36/h5-13,29H,4H2,1-3H3,(H2,27,39,40)(H,28,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330334 (CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair

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