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BDBM50323608 CHEMBL1209597::rac-(S)-N-(3-(3-bromophenyl)-4-(4-chlorophenyl)-2-methylbutan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide

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

InChI Key: InChIKey=BMGOLLQBXXGRJC-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323608   
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))
BDBM50323608
PNG
(CHEMBL1209597 | rac-(S)-N-(3-(3-bromophenyl)-4-(4-...)
Show SMILES CC(C)(NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C27H27BrClF3N2O2/c1-25(2,22(18-6-5-7-20(28)15-18)14-17-8-11-21(29)12-9-17)34-24(35)26(3,4)36-23-13-10-19(16-33-23)27(30,31)32/h5-13,15-16,22H,14H2,1-4H3,(H,34,35)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/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