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BDBM50023666 CHEMBL3341869

SMILES: CCCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

InChI Key: InChIKey=CQQJSPNPVOSJDM-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50023666   
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 1


(Homo sapiens (Human))
BDBM50023666
PNG
(CHEMBL3341869)
Show SMILES CCCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H23ClN4O/c1-2-3-14-24-21-9-5-8-20(27-21)16-6-4-7-19(15-16)26-22(28)25-18-12-10-17(23)11-13-18/h4-13,15H,2-3,14H2,1H3,(H,24,27)(H2,25,26,28)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.52E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023666
PNG
(CHEMBL3341869)
Show SMILES CCCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H23ClN4O/c1-2-3-14-24-21-9-5-8-20(27-21)16-6-4-7-19(15-16)26-22(28)25-18-12-10-17(23)11-13-18/h4-13,15H,2-3,14H2,1H3,(H,24,27)(H2,25,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 93n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization afte...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair