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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C=C)cc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=CEBQNYJQEFWDTE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198535   
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))		BDBM50198535
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C=C)cc1)-c1ccc(Cl)cc1Cl |(24.28,6.62,;24.77,5.16,;26.25,4.69,;26.25,3.14,;27.59,2.37,;28.93,3.14,;28.93,4.69,;30.26,5.46,;31.6,4.67,;32.93,5.43,;32.94,6.97,;31.61,7.75,;30.27,6.99,;27.59,5.47,;27.59,7.01,;24.78,2.65,;23.87,3.9,;22.33,3.89,;21.55,5.21,;20.01,5.2,;19.25,3.86,;17.71,3.84,;16.93,5.17,;20.04,2.53,;21.58,2.54,;24.31,1.19,;22.81,.87,;22.34,-.6,;23.38,-1.74,;22.91,-3.21,;24.89,-1.41,;25.35,.06,;26.85,.39,)|
Show InChI InChI=1S/C28H28Cl2N2O/c1-3-19-9-11-20(12-10-19)27-18(2)26-25(32(27)24-14-13-21(29)17-23(24)30)15-16-31(28(26)33)22-7-5-4-6-8-22/h3,9-14,17,22H,1,4-8,15-16H2,2H3
PDB

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KEGG

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UniChem

Similars
Article
PubMed
 9.80n/an/an/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