Compile Data Set for Download or QSAR

Found 569 hits with Last Name = 'hilvo' and Initial = 'm'   

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 (Drosophila melanogaster)	BDBM50428443 (CHEMBL2334360) Show SMILES [S-]C(=S)Nc1cccs1 Show InChI InChI=1S/C5H5NS3/c7-5(8)6-4-2-1-3-9-4/h1-3H,(H2,6,7,8)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382716 (CHEMBL2023721) Show SMILES CCCCN(CCCC)C([S-])=S Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382706 (Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...) Show SMILES [S-]C(=S)NCc1ccccc1 Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10889 (2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-su...) Show SMILES COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O Show InChI InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 52: 646-54 (2009) Article DOI: 10.1021/jm801267c BindingDB Entry DOI: 10.7270/Q29W0CS7
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382728 (CHEMBL2023727) Show SMILES [S-]C(=S)N1CCOCC1 Show InChI InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382711 (CHEMBL2023718 | CHEMBL2334361) Show SMILES [S-]C(=S)NCCCn1ccnc1 Show InChI InChI=1S/C7H11N3S2/c11-7(12)9-2-1-4-10-5-3-8-6-10/h3,5-6H,1-2,4H2,(H2,9,11,12)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382722 (CHEMBL2023728) Show SMILES [S-]C(=S)N1CCN(CC1)C([S-])=S Show InChI InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)/p-2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382703 (CHEMBL2023164) Show SMILES CN1CCN(CC1)NC([S-])=S Show InChI InChI=1S/C6H13N3S2/c1-8-2-4-9(5-3-8)7-6(10)11/h2-5H2,1H3,(H2,7,10,11)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382714 (CHEMBL2023719) Show SMILES CC(C)CN(CC(C)C)C([S-])=S Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 52: 646-54 (2009) Article DOI: 10.1021/jm801267c BindingDB Entry DOI: 10.7270/Q29W0CS7
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382704 (CHEMBL2023165) Show SMILES CCC(C)NC([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-4(2)6-5(7)8/h4H,3H2,1-2H3,(H2,6,7,8)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382717 (CHEMBL2023722) Show SMILES CCCCCCN(CCCCCC)C([S-])=S Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382724 (CHEMBL2023730) Show SMILES [O-]C(=O)[C@@H]1CCCN1C([S-])=S |r| Show InChI InChI=1S/C6H9NO2S2/c8-5(9)4-2-1-3-7(4)6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50428444 (CHEMBL2334359) Show SMILES [S-]C(=S)NCCN(CCNC([S-])=S)CNC([S-])=S Show InChI InChI=1S/C8H16N4S6/c13-6(14)9-1-3-12(5-11-8(17)18)4-2-10-7(15)16/h1-5H2,(H2,9,13,14)(H2,10,15,16)(H2,11,17,18)/p-3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (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 PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382719 (CHEMBL2023724) Show SMILES OCCN(CCO)C([S-])=S Show InChI InChI=1S/C5H11NO2S2/c7-3-1-6(2-4-8)5(9)10/h7-8H,1-4H2,(H,9,10)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50428441 (CHEMBL2334358) Show SMILES [S-]C(=S)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C13H14N2S2/c14-9-10-1-3-11(4-2-10)12-5-7-15(8-6-12)13(16)17/h1-4,12H,5-8H2,(H,16,17)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382717 (CHEMBL2023722) Show SMILES CCCCCCN(CCCCCC)C([S-])=S Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50428443 (CHEMBL2334360) Show SMILES [S-]C(=S)Nc1cccs1 Show InChI InChI=1S/C5H5NS3/c7-5(8)6-4-2-1-3-9-4/h1-3H,(H2,6,7,8)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382715 (CHEMBL2023720) Show SMILES CCCN(CCC)C([S-])=S Show InChI InChI=1S/C7H15NS2/c1-3-5-8(6-4-2)7(9)10/h3-6H2,1-2H3,(H,9,10)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382713 (CHEMBL2021946) Show SMILES [S-]C(=S)N1CCCC1 Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (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	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
LD26647p (Drosophila melanogaster)	BDBM50382720 (CHEMBL2023725) Show SMILES CN(C([S-])=S)c1ccccc1 Show InChI InChI=1S/C8H9NS2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25916 (3-(4-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Br)cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13BrN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25918 (2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophen...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(3.94,3.73,;2.61,4.5,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;-1.8,7.52,;-3.28,7.1,;-1.42,9.01,;-2.52,10.08,;.06,9.43,;.44,10.92,;1.17,8.36,;2.65,8.78,;.79,6.86,;1.89,5.79,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)| Show InChI InChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25904 (2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25913 (3-(4-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Cl)cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13ClN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25917 (2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indol...) Show SMILES COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN Show InChI InChI=1S/C16H16N4O4S/c1-24-10-4-2-3-9(7-10)14-12-8-11(25(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM25904 (2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.5	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25907 (2-(hydrazinecarbonyl)-3-(4-methylphenyl)-1H-indole...) Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN Show InChI InChI=1S/C16H16N4O3S/c1-9-2-4-10(5-3-9)14-12-8-11(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25910 (3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25909 (3-(3-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25912 (3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25906 (2-(hydrazinecarbonyl)-3-(3-methylphenyl)-1H-indole...) Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN Show InChI InChI=1S/C16H16N4O3S/c1-9-3-2-4-10(7-9)14-12-8-11(24(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25915 (3-(3-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Br)c1)S(N)(=O)=O Show InChI InChI=1S/C15H13BrN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25909 (3-(3-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25918 (2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophen...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(3.94,3.73,;2.61,4.5,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;-1.8,7.52,;-3.28,7.1,;-1.42,9.01,;-2.52,10.08,;.06,9.43,;.44,10.92,;1.17,8.36,;2.65,8.78,;.79,6.86,;1.89,5.79,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)| Show InChI InChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25917 (2-(hydrazinecarbonyl)-3-(3-methoxyphenyl)-1H-indol...) Show SMILES COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN Show InChI InChI=1S/C16H16N4O4S/c1-24-10-4-2-3-9(7-10)14-12-8-11(25(18,22)23)5-6-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26999 (4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 52: 646-54 (2009) Article DOI: 10.1021/jm801267c BindingDB Entry DOI: 10.7270/Q29W0CS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25908 (3-(2-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1F)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)| Show InChI InChI=1S/C15H13FN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25912 (3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25905 (2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole...) Show SMILES Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN |(-3.28,7.1,;-1.8,7.52,;-1.42,9.01,;.06,9.43,;1.17,8.36,;.79,6.86,;-.69,6.44,;-1.17,4.98,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,;1.28,3.73,;2.05,2.4,;2.05,5.07,;3.59,5.07,)| Show InChI InChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25914 (3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)| Show InChI InChI=1S/C15H13BrN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM25911 (3-(2-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Cl)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)| Show InChI InChI=1S/C15H13ClN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 52: 646-54 (2009) Article DOI: 10.1021/jm801267c BindingDB Entry DOI: 10.7270/Q29W0CS7
					More data for this Ligand-Target Pair
LD26647p (Drosophila melanogaster)	BDBM50382705 (CHEMBL2023166) Show SMILES [S-]C(=S)NCCN1CCOCC1 Show InChI InChI=1S/C7H14N2OS2/c11-7(12)8-1-2-9-3-5-10-6-4-9/h1-6H2,(H2,8,11,12)/p-1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7
					More data for this Ligand-Target Pair
Carbonic anhydrase (Drosophila melanogaster)	BDBM50382718 (CHEMBL2023723) Show SMILES CCCCN(CC)C([S-])=S Show InChI InChI=1S/C7H15NS2/c1-3-5-6-8(4-2)7(9)10/h3-6H2,1-2H3,(H,9,10)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25905 (2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole...) Show SMILES Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN |(-3.28,7.1,;-1.8,7.52,;-1.42,9.01,;.06,9.43,;1.17,8.36,;.79,6.86,;-.69,6.44,;-1.17,4.98,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,;1.28,3.73,;2.05,2.4,;2.05,5.07,;3.59,5.07,)| Show InChI InChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.6	-45.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair

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