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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 = 'BDBM50490455'   
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)		BDBM50490455
PNG
(CHEMBL2326218)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C21H28N4O6S/c1-31-20(28)7-5-3-2-4-6-16-18(26)12-19(27)21(16)17-13-25(24-23-17)14-8-10-15(11-9-14)32(22,29)30/h2,4,8-11,13,16,18-19,21,26-27H,3,5-7,12H2,1H3,(H2,22,29,30)/b4-2-/t16-,18-,19+,21-/m0/s1
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PC cid
PC sid
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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