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BDBM50213153 4-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-4-methyl-pentanoic acid methyl ester::CHEMBL234014

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

InChI Key: InChIKey=MEQFGAHLVVEHPA-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 = 50213153   
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))
BDBM50213153
PNG
(4-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-4-methy...)
Show SMILES COC(=O)CCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O3/c1-14-10-15(2)12-16(11-14)18-7-6-17(13-19(18)22)21(3,4)9-8-20(23)24-5/h6-7,10-13,22H,8-9H2,1-5H3
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PC cid
PC sid
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Similars

Article
PubMed
5.60n/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))
BDBM50213153
PNG
(4-(2-hydroxy-3',5'-dimethyl-biphenyl-4-yl)-4-methy...)
Show SMILES COC(=O)CCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26O3/c1-14-10-15(2)12-16(11-14)18-7-6-17(13-19(18)22)21(3,4)9-8-20(23)24-5/h6-7,10-13,22H,8-9H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/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