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BDBM50397383 CHEMBL2170526

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C

InChI Key: InChIKey=JSNBZJXRGPKEHD-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 = 50397383   
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))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
13.4n/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)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
105n/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)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 88.5n/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)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair