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BDBM50287937 5-(1,1-Dimethyl-heptyl)-2-((R)-4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-yl)-benzene-1,3-diol::CHEMBL57840

SMILES: CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1

InChI Key: InChIKey=LBBFVAWQNJMLBX-YSSMNDQQSA-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 = 50287937   
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))
BDBM50287937
PNG
(5-(1,1-Dimethyl-heptyl)-2-((R)-4,6,6-trimethyl-bic...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-11-24(3,4)17-13-21(26)23(22(27)14-17)18-12-16(2)19-15-20(18)25(19,5)6/h12-14,18-20,26-27H,7-11,15H2,1-6H3/t18-,19?,20-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
41n/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))
BDBM50287937
PNG
(5-(1,1-Dimethyl-heptyl)-2-((R)-4,6,6-trimethyl-bic...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)C3C[C@H]2C3(C)C)c(O)c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-11-24(3,4)17-13-21(26)23(22(27)14-17)18-12-16(2)19-15-20(18)25(19,5)6/h12-14,18-20,26-27H,7-11,15H2,1-6H3/t18-,19?,20-/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
350n/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