BindingDB logo
myBDB logout

BDBM50323003 1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-(methylsulfonyl)ethyl)-1H-pyrrole-2-carbonyl)-1,4'-bipiperidine-4'-carboxamide::CHEMBL1210779

SMILES: CS(=O)(=O)CCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCCCC1)C(N)=O

InChI Key: InChIKey=GCJWVHHCXCAOLA-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50323003   
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


(Rattus norvegicus (rat))
BDBM50323003
PNG
(1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2...)
Show SMILES CS(=O)(=O)CCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCCCC1)C(N)=O
Show InChI InChI=1S/C31H35Cl3N4O4S/c1-43(41,42)18-17-38-27(29(39)36-15-11-31(12-16-36,30(35)40)37-13-3-2-4-14-37)20-25(24-10-9-23(33)19-26(24)34)28(38)21-5-7-22(32)8-6-21/h5-10,19-20H,2-4,11-18H2,1H3,(H2,35,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor in rat brain synaptosomal membranes


Bioorg Med Chem Lett 20: 4573-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.017
BindingDB Entry DOI: 10.7270/Q28G8KV6
More data for this
Ligand-Target Pair