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BDBM50323612 (+/-)-1-(3-(4-chlorobenzyl)-3-phenylpyrrolidin-1-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propan-1-one::CHEMBL1209670

SMILES: CC(C)(Oc1ccc(cn1)C(F)(F)F)C(=O)N1CCC(Cc2ccc(Cl)cc2)(C1)c1ccccc1

InChI Key: InChIKey=AHIGFBNAPKVCDM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323612   
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))
BDBM50323612
PNG
((+/-)-1-(3-(4-chlorobenzyl)-3-phenylpyrrolidin-1-y...)
Show SMILES CC(C)(Oc1ccc(cn1)C(F)(F)F)C(=O)N1CCC(Cc2ccc(Cl)cc2)(C1)c1ccccc1
Show InChI InChI=1S/C27H26ClF3N2O2/c1-25(2,35-23-13-10-21(17-32-23)27(29,30)31)24(34)33-15-14-26(18-33,20-6-4-3-5-7-20)16-19-8-11-22(28)12-9-19/h3-13,17H,14-16,18H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4757-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.127
BindingDB Entry DOI: 10.7270/Q2NK3F71
More data for this
Ligand-Target Pair