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BDBM50385143 CHEMBL2035652

SMILES: O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccccn1

InChI Key: InChIKey=RNMNRTDFICDVQJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385143   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50385143
PNG
(CHEMBL2035652)
Show SMILES O=C(NCCN1CCOCC1)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H21N3O2/c22-18(20-9-10-21-11-13-23-14-12-21)16-6-4-15(5-7-16)17-3-1-2-8-19-17/h1-8H,9-14H2,(H,20,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 274n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measur...


Bioorg Med Chem Lett 22: 3795-9 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)