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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50339772'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50339772
PNG
(2-(2-((4-benzoylpiperazin-1-yl)methyl)-4-(trifluor...)
Show SMILES OC(=O)COc1ccc(cc1CN1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O4/c22-21(23,24)17-6-7-18(30-14-19(27)28)16(12-17)13-25-8-10-26(11-9-25)20(29)15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,27,28)
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay

J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair