Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'etxebeste-mitxeltorena' 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 2 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					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	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 4306-4314 (2020) Article DOI: 10.1021/acs.jmedchem.0c00211 BindingDB Entry DOI: 10.7270/Q2NZ8BZW
					More data for this Ligand-Target Pair