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SMILES: COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=WWOBVHVQVQPECK-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 = 50198511   
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))		BDBM50198511
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-7.11,4.66,;-6.32,3.34,;-4.78,3.35,;-4.02,4.69,;-2.49,4.7,;-1.71,3.38,;-2.46,2.04,;-4,2.02,;-.17,3.39,;.73,4.65,;.24,6.11,;2.21,4.18,;2.21,2.63,;3.55,1.86,;4.89,2.63,;4.89,4.18,;6.22,4.95,;7.56,4.17,;8.89,4.93,;8.9,6.47,;7.57,7.24,;6.22,6.48,;3.55,4.96,;3.55,6.5,;.74,2.15,;.28,.68,;-1.23,.36,;-1.7,-1.1,;-.66,-2.24,;-1.13,-3.71,;.85,-1.91,;1.31,-.44,;2.81,-.11,)|
Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3
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Similars
Article
PubMed
 7.90n/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