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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 = 'BDBM50081444'   
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))
BDBM50081444
PNG
(4'-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl...)
Show SMILES CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
Show InChI InChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5.00E+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