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SMILES: Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F

InChI Key: InChIKey=QSJYEDBNXXEBDB-VOIUYBSRSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309054   
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))
BDBM50309054
PNG
(CHEMBL592628 | trans-1-(4-chlorophenyl)-2-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309054
PNG
(CHEMBL592628 | trans-1-(4-chlorophenyl)-2-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z
More data for this
Ligand-Target Pair