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BDBM50081024 CHEMBL3421700

SMILES: CCCCCn1cc2c(nn(CCC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12

InChI Key: InChIKey=MEMYCONPATVETI-UHFFFAOYSA-N

Data: 2 KI

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 = 50081024   
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))
BDBM50081024
PNG
(CHEMBL3421700)
Show SMILES CCCCCn1cc2c(nn(CCC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:20:15:22:19.21.18,20:19:22:14.15.16,THB:18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C27H35N3O/c1-2-3-6-10-29-18-23-25(22-7-4-5-8-24(22)29)28-30(26(23)31)11-9-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-5,7-8,18-21H,2-3,6,9-17H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50081024
PNG
(CHEMBL3421700)
Show SMILES CCCCCn1cc2c(nn(CCC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:20:15:22:19.21.18,20:19:22:14.15.16,THB:18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C27H35N3O/c1-2-3-6-10-29-18-23-25(22-7-4-5-8-24(22)29)28-30(26(23)31)11-9-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-5,7-8,18-21H,2-3,6,9-17H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair