Reaction Details Report a problem with these data
Target
Prostaglandin D2 receptor 2
Ligand
BDBM50035089
Substrate
n/a
Meas. Tech.
ChEMBL_1431841 (CHEMBL3385698)
IC50
1.000000±n/a nM
Citation
 Alonso, JA; Andrés, M; Bravo, M; Buil, MA; Calbet, M; Castro, J; Eastwood, PR; Esteve, C; Ferrer, M; Forns, P; Gómez, E; González, J; Lozoya, E; Mir, M; Moreno, I; Petit, S; Roberts, RS; Sevilla, S; Vidal, B; Vidal, L; Vilaseca, P Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists III: the role of a hydrogen-bond acceptor in long receptor residence times. Bioorg Med Chem Lett 24:5127-33 (2014) [PubMed]  Article 
Target
Name:
Prostaglandin D2 receptor 2
Synonyms:
CD_antigen=CD294 | CRTH2 | Chemoattractant Receptor-homologous molecule expressed on T-helper type 2 cells (CRTH2) | Chemoattractant receptor-homologous molecule expressed on Th2 cells | Chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) | DL1R | G protein-coupled receptor 44 | G-protein coupled receptor 44 | GPR44 | PD2R2_HUMAN | PTGDR2 | Prostaglandin D2 | Prostaglandin D2 receptor 2 | Prostaglandin D2 receptor 2 (PGD2)
Type:
Enzyme
Mol. Mass.:
43295.45
Organism:
Homo sapiens (Human)
Description:
Q9Y5Y4
Residue:
395
Sequence:
MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
  
Inhibitor
Name:
BDBM50035089
Synonyms:
CHEMBL3338297
Type:
Small organic molecule
Emp. Form.:
C25H22F3N3O3
Mol. Mass.:
469.4557
SMILES:
Cc1noc(C2CC2)c1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F
Structure:
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