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SMILES: Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=DMDOZZUSVYPIOR-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 2 hits for monomerid = 50198519   
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))
BDBM50198519
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3
PDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198519
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 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