BindingDB logo
myBDB logout

BDBM50056334 CHEMBL3322471

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccccc1

InChI Key: InChIKey=DLILJGYGZZNBME-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 = 50056334   
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))
BDBM50056334
PNG
(CHEMBL3322471)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C28H25Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,32,36)(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 776n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056334
PNG
(CHEMBL3322471)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C28H25Cl3N4O2/c1-18-25(28(37)33-16-6-5-15-32-27(36)20-7-3-2-4-8-20)34-35(24-14-13-22(30)17-23(24)31)26(18)19-9-11-21(29)12-10-19/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,32,36)(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 776n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af...


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair