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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198718'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198718
PNG
(CHEMBL3941829)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C29H23Cl2F3N4OS/c30-21-16-18(29(32,33)34)8-10-22(21)38-26-17(15-19-9-11-24(31)40-19)5-1-2-6-20(26)25(37-38)27(39)36-28(12-13-28)23-7-3-4-14-35-23/h3-4,7-11,14-16H,1-2,5-6,12-13H2,(H,36,39)/b17-15+
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Article
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n/an/an/an/a 8n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...

Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair