BindingDB logo
myBDB logout

BDBM50165682 CHEMBL3799936

SMILES: COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1

InChI Key: InChIKey=NYMKKMJYWMUJPC-JOWIQFDXSA-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 = 50165682   
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))
BDBM50165682
PNG
(CHEMBL3799936)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11-,12+,13+,14-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
BindingDB Entry DOI: 10.7270/Q2DJ5HHP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50165682
PNG
(CHEMBL3799936)
Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C15H18N2O6/c18-7-11-12(19)13(20)14(21)15(22-11)23-17-6-8-5-16-10-4-2-1-3-9(8)10/h1-6,11-16,18-21H,7H2/b17-6+/t11-,12+,13+,14-,15+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
905n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs


Eur J Med Chem 116: 252-266 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.072
BindingDB Entry DOI: 10.7270/Q2DJ5HHP
More data for this
Ligand-Target Pair