BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=BXPVERGEZGSHOD-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 = 50198512   
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))		BDBM50198512
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(3-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24,-45.62,;24.49,-47.08,;25.96,-47.55,;25.97,-49.1,;27.31,-49.87,;28.65,-49.1,;28.65,-47.55,;29.98,-46.78,;31.32,-47.56,;32.65,-46.8,;32.66,-45.26,;31.32,-44.49,;29.98,-45.25,;27.31,-46.77,;27.31,-45.23,;24.5,-49.58,;23.59,-48.34,;22.05,-48.35,;21.3,-49.69,;19.76,-49.71,;18.97,-48.38,;19.73,-47.04,;21.27,-47.03,;18.95,-45.71,;18.17,-44.38,;17.63,-46.49,;20.29,-44.94,;24.03,-51.05,;22.53,-51.37,;22.06,-52.83,;23.1,-53.97,;22.63,-55.44,;24.61,-53.64,;25.07,-52.18,;26.57,-51.84,)|
Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(12-13-33(26(24)35)20-8-3-2-4-9-20)34(22-11-10-19(28)15-21(22)29)25(16)17-6-5-7-18(14-17)27(30,31)32/h5-7,10-11,14-15,20H,2-4,8-9,12-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 67n/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