Ki Summary

Reaction Details

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Target

Prostaglandin D2 receptor 2

Ligand

BDBM50401101

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_884446 (CHEMBL2212208)

IC50

>1000±n/a nM

Citation

Kaila, N; Huang, A; Moretto, A; Follows, B; Janz, K; Lowe, M; Thomason, J; Mansour, TS; Hubeau, C; Page, K; Morgan, P; Fish, S; Xu, X; Williams, C; Saiah, E Diazine indole acetic acids as potent, selective, and orally bioavailable antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases. J Med Chem55:5088-109 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Prostaglandin D2 receptor 2

Name:

Prostaglandin D2 receptor 2

Synonyms:

Type:

Enzyme

Mol. Mass.:

43295.45

Organism:

Homo sapiens (Human)

Description:

Q9Y5Y4

Residue:

395

Sequence:

MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCR
MRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGF
LLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRI
MCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRR
PGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVAN
PVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRP
EEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS

BDBM50401101

n/a

Name

BDBM50401101

Synonyms:

CHEMBL2205155

Type

Small organic molecule

Emp. Form.

C25H19N7O

Mol. Mass.

433.4647

SMILES

Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1-c1nnn[nH]1 |(26.03,-37.21,;24.5,-37.21,;23.58,-35.96,;24.36,-34.63,;25.9,-34.64,;26.67,-33.31,;28.21,-33.32,;28.98,-34.65,;28.19,-35.97,;28.96,-37.31,;30.5,-37.32,;31.27,-35.98,;30.51,-34.65,;25.91,-31.97,;26.68,-30.64,;24.37,-31.97,;23.59,-30.63,;22.05,-30.63,;21.28,-31.98,;22.05,-33.31,;23.59,-33.31,;22.11,-36.44,;20.77,-35.67,;19.45,-36.44,;19.44,-37.99,;20.78,-38.76,;22.11,-37.99,;23.58,-38.46,;24.06,-39.93,;25.53,-40.4,;25.53,-41.94,;24.07,-42.42,;23.16,-41.17,)|

Structure