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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 = 'BDBM50198721'   
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))		BDBM50198721
PNG
(CHEMBL3920504)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)Cn1cnnn1)-c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C31H25Cl2FN8O2/c1-19(21-5-3-2-4-6-21)36-31(44)29-25-16-40(28(43)17-41-18-35-38-39-41)15-22(13-20-7-10-24(34)11-8-20)30(25)42(37-29)27-12-9-23(32)14-26(27)33/h2-14,18-19H,15-17H2,1H3,(H,36,44)/b22-13+/t19-/m1/s1
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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 CB1 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...

Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair