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BDBM50303654 CHEMBL565599::pyridin-4-yl(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)methanone::pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

SMILES: O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=AFGONOGEOHNVPG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303654   
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))
BDBM50303654
PNG
(CHEMBL565599 | pyridin-4-yl(4-(2-(pyrrolidin-1-yl)...)
Show SMILES O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C18H20N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2
PDB
MMDB

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PC cid
PC sid
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AffyNet 
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Article
PubMed
n/an/a 1.99E+5n/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


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)