BindingDB PrimarySearch

Found 22 hits with Last Name = 'cabrita' and Initial = 'ej'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using vanillin as substrate by HPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using phthalazine as substrate preincubated for 30 mins followed by substr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde oxidase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive type inhibition of human AOX assessed as inhibition constant using nicotine-1(S)-iminium ion as substrate incubated for 2 mins by HPLC-...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01125 BindingDB Entry DOI: 10.7270/Q2C82F55
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid \| (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX1				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid \| (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX2				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50445691 (CHEMBL243677) Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM7461 (5,7-dihydroxy-2-phenyl-4H-chromen-4-one \| 5,7-dihy...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50445690 (CHEMBL457821) Show SMILES Oc1cccc(c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50312650 (5,4'-dihydroxyflavone \| 5-hydroxy-2-(4-hydroxyphen...) Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX2				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Inhibition of human COX2 measured after pre-incubation of enzyme with compound				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid \| (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus system				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one \| 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50077325 (2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one \|...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50445691 (CHEMBL243677) Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 72: 137-45 (2014) Article DOI: 10.1016/j.ejmech.2013.11.030 BindingDB Entry DOI: 10.7270/Q27H1M2P
Universidade do Porto Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	6.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					Assay Description Instantaneous inhibition of human COX2 measured immediately after incubation of enzyme with compound				J Med Chem 54: 8555-62 (2011) Article DOI: 10.1021/jm201090k BindingDB Entry DOI: 10.7270/Q2W95B6H
Faculdade de Ci�ncias e Tecnologia-UNL Curated by ChEMBL					More data for this Ligand-Target Pair