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BDBM50078148 CHEMBL3417565

SMILES: CCCCCCC(C)(C)C1=CC2=C(c3nn(C)cc3C(C)(C)O2)C(=O)C1=O

InChI Key: InChIKey=QIFMCIHXGQBWJT-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 = 50078148   
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))
BDBM50078148
PNG
(CHEMBL3417565)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3nn(C)cc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C22H30N2O3/c1-7-8-9-10-11-21(2,3)14-12-16-17(20(26)19(14)25)18-15(13-24(6)23-18)22(4,5)27-16/h12-13H,7-11H2,1-6H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
597n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
BindingDB Entry DOI: 10.7270/Q2NP2630
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50078148
PNG
(CHEMBL3417565)
Show SMILES CCCCCCC(C)(C)C1=CC2=C(c3nn(C)cc3C(C)(C)O2)C(=O)C1=O |t:9,11|
Show InChI InChI=1S/C22H30N2O3/c1-7-8-9-10-11-21(2,3)14-12-16-17(20(26)19(14)25)18-15(13-24(6)23-18)22(4,5)27-16/h12-13H,7-11H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry


J Med Chem 58: 2256-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00078
BindingDB Entry DOI: 10.7270/Q2NP2630
More data for this
Ligand-Target Pair