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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 = 'BDBM50081445'   
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


(Homo sapiens (Human))		BDBM50081445
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C39H36N2O4S/c1-39(2,26-28-12-4-3-5-13-28)38(43)40-46(44,45)36-19-11-9-16-33(36)31-22-20-29(21-23-31)27-41-35-18-10-7-15-32(35)25-24-30-14-6-8-17-34(30)37(41)42/h3-23H,24-27H2,1-2H3,(H,40,43)
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PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay

Bioorg Med Chem Lett 9: 2699-704 (1999)


BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair