BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1

InChI Key: InChIKey=IEBDUSKHJNOFNQ-UHFFFAOYSA-N

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 = 50500800   
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))
BDBM50500800
PNG
(CHEMBL3758973)
Show SMILES O=C(Nc1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C29H26N4O2/c34-28(21-8-2-1-3-9-21)22-14-16-24(17-15-22)30-29(35)31-25-11-6-10-23(20-25)26-12-7-13-27(32-26)33-18-4-5-19-33/h1-3,6-17,20H,4-5,18-19H2,(H2,30,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 683n/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of CP55,940-induced beta-arrestin recruitment p...


J Med Chem 59: 44-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01303
BindingDB Entry DOI: 10.7270/Q2Z03C57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50500800
PNG
(CHEMBL3758973)
Show SMILES O=C(Nc1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C29H26N4O2/c34-28(21-8-2-1-3-9-21)22-14-16-24(17-15-22)30-29(35)31-25-11-6-10-23(20-25)26-12-7-13-27(32-26)33-18-4-5-19-33/h1-3,6-17,20H,4-5,18-19H2,(H2,30,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as effect on CP55,940-induced inhibition of forskolin-induced...


J Med Chem 59: 44-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01303
BindingDB Entry DOI: 10.7270/Q2Z03C57
More data for this
Ligand-Target Pair