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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 = 'BDBM50198742'   
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))		BDBM50198742
PNG
(CHEMBL3933518)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CCC(N)=O)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C31H27Cl2FN6O3/c1-18(25-4-2-3-13-36-25)37-31(43)29-23-17-39(28(42)12-11-27(35)41)16-20(14-19-5-8-22(34)9-6-19)30(23)40(38-29)26-10-7-21(32)15-24(26)33/h2-10,13-15,18H,11-12,16-17H2,1H3,(H2,35,41)(H,37,43)/b20-14+/t18-/m1/s1
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Article
PubMed
n/an/an/an/a 20n/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