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BDBM50213163 4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-ol::CHEMBL56799

SMILES: CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=BTJDLIRSSVCJHZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50213163   
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))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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2.30n/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))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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2.70n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213163
PNG
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3
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Article
13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair