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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 = 'BDBM50401135'   
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))		BDBM50401135
PNG
(CHEMBL2204485)
Show SMILES Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(ccc2n1CC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H21N3O5S/c1-15-23(19-9-11-21(27)26(24-19)13-16-6-4-3-5-7-16)18-12-17(32(2,30)31)8-10-20(18)25(15)14-22(28)29/h3-12H,13-14H2,1-2H3,(H,28,29)
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Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method

J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair