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BDBM50397397 CHEMBL2170551

SMILES: CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C

InChI Key: InChIKey=OWATUWQTDPKPDC-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50397397   
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))
BDBM50397397
PNG
(CHEMBL2170551)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
10.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50397397
PNG
(CHEMBL2170551)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30)
PDB

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50397397
PNG
(CHEMBL2170551)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30)
Reactome pathway
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antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 49.2n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells membrane by [35S]-GTPgammaS assay


J Med Chem 55: 8948-52 (2012)

More data for this
Ligand-Target Pair