SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3
BDBM50085245

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined for LTB4 production in human whole blood.				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
Searle Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50085245 (1-[2-(4-Phenoxy-phenoxy)-ethyl]-pyrrolidine \| CHEM...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair