BindingDB logo
myBDB logout

BDBM50463721 CHEMBL4238290

SMILES: O=C(Nc1ccc(cc1)N1CCCC1=O)c1cnc(nc1)-c1ccccn1

InChI Key: InChIKey=MYYXEGDPWAHVAZ-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50463721   
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))
BDBM50463721
PNG
(CHEMBL4238290)
Show SMILES O=C(Nc1ccc(cc1)N1CCCC1=O)c1cnc(nc1)-c1ccccn1
Show InChI InChI=1S/C20H17N5O2/c26-18-5-3-11-25(18)16-8-6-15(7-9-16)24-20(27)14-12-22-19(23-13-14)17-4-1-2-10-21-17/h1-2,4,6-10,12-13H,3,5,11H2,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 0.140n/an/an/an/an/a



RIKEN Center for Biosystems Dynamics Research

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human N-terminal His6-tagged H-PGDS expressed in Escherichia coli BL21(DE3) by SPR analysis


Bioorg Med Chem 26: 4726-4734 (2018)


BindingDB Entry DOI: 10.7270/Q2VH5RJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)