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BDBM50213172 4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-carboxylic acid::CHEMBL233007

SMILES: CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(c1)C(O)=O

InChI Key: InChIKey=LWPHMYDSUBVSCJ-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 = 50213172   
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))
BDBM50213172
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H32O2/c1-6-7-8-9-12-24(4,5)20-10-11-21(22(16-20)23(25)26)19-14-17(2)13-18(3)15-19/h10-11,13-16H,6-9,12H2,1-5H3,(H,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+3n/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))
BDBM50213172
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H32O2/c1-6-7-8-9-12-24(4,5)20-10-11-21(22(16-20)23(25)26)19-14-17(2)13-18(3)15-19/h10-11,13-16H,6-9,12H2,1-5H3,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/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