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BDBM50213151 6-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-6-methyl-heptanoic acid methyl ester::CHEMBL233637

SMILES: COC(=O)CCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=LQPGASJGMFSFJP-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 = 50213151   
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))
BDBM50213151
PNG
(6-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-6-methy...)
Show SMILES COC(=O)CCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H30O3/c1-16-12-17(2)14-18(13-16)20-10-9-19(15-21(20)24)23(3,4)11-7-6-8-22(25)26-5/h9-10,12-15,24H,6-8,11H2,1-5H3
PDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor


Bioorg Med Chem Lett 17: 3652-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213151
PNG
(6-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-6-methy...)
Show SMILES COC(=O)CCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H30O3/c1-16-12-17(2)14-18(13-16)20-10-9-19(15-21(20)24)23(3,4)11-7-6-8-22(25)26-5/h9-10,12-15,24H,6-8,11H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor


Bioorg Med Chem Lett 17: 3652-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703
More data for this
Ligand-Target Pair