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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin F2-alpha receptor' and Ligand = 'BDBM50490454'   
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 F2-alpha receptor


(MOUSE)		BDBM50490454
PNG
(CHEMBL2325981)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O |r|
Show InChI InChI=1S/C20H30N4O7S2/c1-12(2)31-18(28)8-6-4-3-5-7-13-14(16(26)11-15(13)25)9-10-17(27)22-19-23-24-20(32-19)33(21,29)30/h3,5,9-10,12-16,25-26H,4,6-8,11H2,1-2H3,(H2,21,29,30)(H,22,23,27)/b5-3-,10-9+/t13-,14-,15+,16-/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a<5.01E+3n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR

Bioorg Med Chem Lett 23: 939-43 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54
More data for this
Ligand-Target Pair