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BDBM50463722 CHEMBL4238186

SMILES: O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1

InChI Key: InChIKey=NLSSUSRERAMBTA-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463722   
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))
BDBM50463722
PNG
(CHEMBL4238186)
Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1
Show InChI InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.370n/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