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BDBM50348138 CHEMBL1800728

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C

InChI Key: InChIKey=CMNGMIJTLSOYJY-YNBBOVHRSA-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 = 50348138   
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))
BDBM50348138
PNG
(CHEMBL1800728)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C |r|
Show InChI InChI=1S/C29H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-28(31)30-27(3)26-33-29(32)25-22-7-5-2/h2,10-11,13-14,16-17,19-20,27H,4,6-9,12,15,18,21-26H2,1,3H3,(H,30,31)/b11-10-,14-13-,17-16-,20-19-/t27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50348138
PNG
(CHEMBL1800728)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C |r|
Show InChI InChI=1S/C29H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-28(31)30-27(3)26-33-29(32)25-22-7-5-2/h2,10-11,13-14,16-17,19-20,27H,4,6-9,12,15,18,21-26H2,1,3H3,(H,30,31)/b11-10-,14-13-,17-16-,20-19-/t27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair