BindingDB logo
myBDB logout

null

SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccnc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=LNDZXEPTCSDNOG-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198518   
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))		BDBM50198518
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(py...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccnc1)-c1ccc(Cl)cc1Cl |(25.49,-21.79,;25.98,-23.25,;27.46,-23.72,;27.46,-25.27,;28.8,-26.04,;30.14,-25.27,;30.14,-23.72,;31.47,-22.95,;32.81,-23.74,;34.14,-22.97,;34.15,-21.43,;32.81,-20.66,;31.47,-21.42,;28.8,-22.94,;28.8,-21.4,;25.99,-25.75,;25.08,-24.51,;23.54,-24.52,;22.77,-25.86,;21.23,-25.87,;20.46,-24.55,;21.21,-23.21,;22.75,-23.19,;25.53,-27.22,;24.02,-27.54,;23.55,-29,;24.59,-30.14,;24.12,-31.61,;26.1,-29.81,;26.56,-28.34,;28.06,-28.01,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-23-22(11-13-29(25(23)31)19-7-3-2-4-8-19)30(21-10-9-18(26)14-20(21)27)24(16)17-6-5-12-28-15-17/h5-6,9-10,12,14-15,19H,2-4,7-8,11,13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 390n/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