BindingDB logo
myBDB logout

null

SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=XVIZDQJZPXDFPV-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 = 50198536   
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))		BDBM50198536
PNG
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,6-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1c(Cl)cccc1Cl |(4.22,-1.31,;4.72,-2.76,;6.19,-3.23,;6.19,-4.77,;7.52,-5.53,;8.86,-4.77,;8.86,-3.23,;10.19,-2.47,;11.52,-3.26,;12.85,-2.51,;12.86,-.97,;11.54,-.19,;10.2,-.94,;7.53,-2.45,;7.53,-.9,;4.72,-5.25,;3.82,-4.08,;2.42,-4.13,;1.69,-2.94,;.29,-2.98,;-.37,-4.21,;-1.77,-4.25,;.38,-5.4,;1.77,-5.35,;4.27,-6.73,;5.34,-7.84,;6.83,-7.49,;4.89,-9.32,;3.38,-9.68,;2.32,-8.54,;2.77,-7.07,;1.27,-7.46,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-23-22(14-15-30(26(23)32)19-6-3-2-4-7-19)31(25-20(28)8-5-9-21(25)29)24(16)17-10-12-18(27)13-11-17/h5,8-13,19H,2-4,6-7,14-15H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 200n/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