BDBM50303648 (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine::(R)-2-(4-Benzylphenoxymethyl)pyrrolidine::CHEMBL571091

SMILES: C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1

InChI Key: InChIKey=NXNMORHGFGYRDN-QGZVFWFLSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303648   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50303648 ((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...) Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50303648 ((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...) Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)