BindingDB logo
myBDB logout

BDBM50055457 CHEMBL3323677

SMILES: CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC(CO)CO)c1

InChI Key: InChIKey=QQIJWOFYHMNSTN-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 = 50055457   
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 1


(Homo sapiens (Human))
BDBM50055457
PNG
(CHEMBL3323677)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC(CO)CO)c1
Show InChI InChI=1S/C26H45NO5/c1-4-5-6-11-14-26(2,3)21-16-23(30)18-24(17-21)32-15-12-9-7-8-10-13-25(31)27-22(19-28)20-29/h16-18,22,28-30H,4-15,19-20H2,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
178n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50055457
PNG
(CHEMBL3323677)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC(CO)CO)c1
Show InChI InChI=1S/C26H45NO5/c1-4-5-6-11-14-26(2,3)21-16-23(30)18-24(17-21)32-15-12-9-7-8-10-13-25(31)27-22(19-28)20-29/h16-18,22,28-30H,4-15,19-20H2,1-3H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
815n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair