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BDBM50356546 CHEMBL1909854

SMILES: CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1

InChI Key: InChIKey=IMUXNARHYOHMGR-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50356546   
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))
BDBM50356546
PNG
(CHEMBL1909854)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(32.01,-22.38,;33.33,-23.17,;33.3,-24.71,;32.04,-25.6,;32.5,-27.07,;34.04,-27.09,;34.92,-28.36,;34.27,-29.75,;34.54,-25.64,;36.01,-25.19,;36.49,-23.73,;35.58,-22.48,;38.02,-23.73,;38.5,-25.19,;37.25,-26.09,;37.25,-27.63,;35.91,-28.4,;35.91,-29.94,;37.24,-30.71,;37.24,-32.25,;38.58,-29.93,;39.91,-30.7,;38.58,-28.4,;38.93,-22.49,;38.31,-21.08,;40.46,-22.65,;41.37,-21.4,;42.89,-21.58,;43.8,-20.34,;43.18,-18.93,;41.65,-18.76,;40.73,-20.01,)|
Show InChI InChI=1S/C25H30Cl2N4O/c1-4-18-11-12-19(5-2)30(18)25-16(3)23(24(32)28-17-9-7-6-8-10-17)29-31(25)20-13-14-21(26)22(27)15-20/h11-15,17H,4-10H2,1-3H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356546
PNG
(CHEMBL1909854)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(32.01,-22.38,;33.33,-23.17,;33.3,-24.71,;32.04,-25.6,;32.5,-27.07,;34.04,-27.09,;34.92,-28.36,;34.27,-29.75,;34.54,-25.64,;36.01,-25.19,;36.49,-23.73,;35.58,-22.48,;38.02,-23.73,;38.5,-25.19,;37.25,-26.09,;37.25,-27.63,;35.91,-28.4,;35.91,-29.94,;37.24,-30.71,;37.24,-32.25,;38.58,-29.93,;39.91,-30.7,;38.58,-28.4,;38.93,-22.49,;38.31,-21.08,;40.46,-22.65,;41.37,-21.4,;42.89,-21.58,;43.8,-20.34,;43.18,-18.93,;41.65,-18.76,;40.73,-20.01,)|
Show InChI InChI=1S/C25H30Cl2N4O/c1-4-18-11-12-19(5-2)30(18)25-16(3)23(24(32)28-17-9-7-6-8-10-17)29-31(25)20-13-14-21(26)22(27)15-20/h11-15,17H,4-10H2,1-3H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair