new BindingDB logo
myBDB logout

BDBM50323607 CHEMBL1209596::rac-N-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide

SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=SIHVMKYMBONCDC-KSFYIVLOSA-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 = 50323607   
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))
BDBM50323607
PNG
(CHEMBL1209596 | rac-N-((2S,3S)-3-(3-bromophenyl)-4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C26H25BrClF3N2O2/c1-16(22(18-5-4-6-20(27)14-18)13-17-7-10-21(28)11-8-17)33-24(34)25(2,3)35-23-12-9-19(15-32-23)26(29,30)31/h4-12,14-16,22H,13H2,1-3H3,(H,33,34)/t16-,22+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.590n/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