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BDBM50116909 CHEMBL3613101

SMILES: [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C

InChI Key: InChIKey=YJOBSOWAXPPJPA-RRLIAEKXSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50116909   
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 2


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1S/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/m0/s1
PDB

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PC cid
PC sid
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Similars

PubMed
72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1S/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1S/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptor transfected in Chem4 cell membranes after 30 mins by [35S]-GTPgammaS binding assay


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair