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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50013209'   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013209
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12 |t:16|
Show InChI InChI=1S/C24H21ClFN3O/c1-29-18(15-28-24(30)16-10-12-17(25)13-11-16)14-27-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)29/h2-13,18H,14-15H2,1H3,(H,28,30)
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair