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BDBM50154635 CHEMBL3775089

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1cccnc1

InChI Key: InChIKey=FLQRGJSVWIUPPP-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 = 50154635   
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))
BDBM50154635
PNG
(CHEMBL3775089)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1cccnc1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C26H32N6O2/c1-2-3-4-8-31-16-21(23(33)29-26-12-17-9-18(13-26)11-19(10-17)14-26)24(34)32-25(31)28-22(30-32)20-6-5-7-27-15-20/h5-7,15-19H,2-4,8-14H2,1H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
228n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50154635
PNG
(CHEMBL3775089)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)-c1cccnc1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C26H32N6O2/c1-2-3-4-8-31-16-21(23(33)29-26-12-17-9-18(13-26)11-19(10-17)14-26)24(34)32-25(31)28-22(30-32)20-6-5-7-27-15-20/h5-7,15-19H,2-4,8-14H2,1H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair