BindingDB logo
myBDB logout

BDBM50298091 CHEMBL550205::N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-cycloheptyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

SMILES: C[C@H](Nc1cc(NC2CCCCCC2)nc(n1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=GSONGNIMRFPISN-MHECFPHRSA-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 = 50298091   
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))		BDBM50298091
PNG
(CHEMBL550205 | N4-((2S,3S)-3-(3-bromophenyl)-4-(4-...)
Show SMILES C[C@H](Nc1cc(NC2CCCCCC2)nc(n1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C28H31BrClF3N4/c1-18(24(20-7-6-8-21(29)16-20)15-19-11-13-22(30)14-12-19)34-25-17-26(37-27(36-25)28(31,32)33)35-23-9-4-2-3-5-10-23/h6-8,11-14,16-18,23-24H,2-5,9-10,15H2,1H3,(H2,34,35,36,37)/t18-,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 38.9n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry

Bioorg Med Chem Lett 19: 4692-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.069
BindingDB Entry DOI: 10.7270/Q2PK0G65
More data for this
Ligand-Target Pair