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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-AGDOHHJYNA-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
(Institution)
LigandTarget
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
pHTemp
°C
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50303648
PNG
((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r|
Show InChI InChI=1/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-/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 449n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50303648
PNG
((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r|
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 87n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)