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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 = 'BDBM50020596'   
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


(Mus musculus (Mouse))		BDBM50020596
PNG
(CHEMBL3290446)
Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
Show InChI InChI=1S/C27H25Cl2N3O2/c1-14-2-4-19-22(6-14)34-25-23(31-32(24(19)25)21-5-3-18(28)10-20(21)29)26(33)30-27-11-15-7-16(12-27)9-17(8-15)13-27/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,30,33)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 363n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis

Eur J Med Chem 82: 281-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G
More data for this
Ligand-Target Pair