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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor' and Ligand = 'BDBM50460667'   
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


(Homo sapiens (Human))		BDBM50460667
PNG
(CHEMBL4226404)
Show SMILES CS(=O)(=O)c1cc(F)cc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 |r|
Show InChI InChI=1S/C21H17F4NO4S2/c1-32(29,30)16-10-13(22)9-15-18(16)20(19-11(8-17(27)28)6-7-26(15)19)31-14-4-2-12(3-5-14)21(23,24)25/h2-5,9-11H,6-8H2,1H3,(H,27,28)/t11-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at DP1 receptor (unknown origin)

Bioorg Med Chem Lett 28: 1122-1126 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.039
BindingDB Entry DOI: 10.7270/Q2QV3Q4C
More data for this
Ligand-Target Pair