BindingDB logo
myBDB logout

BDBM50297594 1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2-neopentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine::CHEMBL560208

SMILES: COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1

InChI Key: InChIKey=WHFDUZQMHSPVLQ-UHFFFAOYSA-N

Data: 2 EC50

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 = 50297594   
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))
BDBM50297594
PNG
(1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2...)
Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297594
PNG
(1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2...)
Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21.5n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair