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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccccc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=FNJBHNSWEFHVHN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198537   
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))		BDBM50198537
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-phe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccccc1)-c1ccc(Cl)cc1Cl |(-3.71,-25.55,;-3.22,-27.01,;-1.74,-27.47,;-1.74,-29.03,;-.4,-29.8,;.94,-29.03,;.94,-27.48,;2.27,-26.71,;3.61,-27.49,;4.94,-26.73,;4.95,-25.19,;3.61,-24.42,;2.27,-25.18,;-.4,-26.7,;-.4,-25.16,;-3.21,-29.51,;-4.12,-28.27,;-5.66,-28.28,;-6.44,-26.96,;-7.97,-26.97,;-8.73,-28.31,;-7.95,-29.64,;-6.41,-29.62,;-3.68,-30.98,;-5.18,-31.3,;-5.65,-32.76,;-4.61,-33.9,;-5.08,-35.37,;-3.1,-33.57,;-2.64,-32.1,;-1.14,-31.77,)|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(14-15-29(26(24)31)20-10-6-3-7-11-20)30(22-13-12-19(27)16-21(22)28)25(17)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,20H,3,6-7,10-11,14-15H2,1H3
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Article
PubMed
n/an/a 16n/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