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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(C)c1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=QMNRCJLDOUOGJJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198524   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198524
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-m-t...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(C)c1)-c1ccc(Cl)cc1Cl |(25.53,-18.89,;26.02,-20.35,;27.5,-20.82,;27.51,-22.37,;28.84,-23.14,;30.18,-22.37,;30.18,-20.83,;31.51,-20.06,;32.85,-20.84,;34.18,-20.08,;34.19,-18.54,;32.86,-17.77,;31.52,-18.53,;28.84,-20.05,;28.84,-18.51,;26.03,-22.86,;25.12,-21.62,;23.58,-21.63,;22.83,-22.97,;21.29,-22.99,;20.51,-21.66,;21.27,-20.32,;20.49,-18.99,;22.81,-20.3,;25.57,-24.33,;24.06,-24.65,;23.59,-26.11,;24.63,-27.25,;24.16,-28.72,;26.14,-26.92,;26.6,-25.45,;28.1,-25.12,)|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-7-6-8-19(15-17)26-18(2)25-24(31(26)23-12-11-20(28)16-22(23)29)13-14-30(27(25)32)21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells

Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair