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BDBM50140216 CHEMBL416535::[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazol-3-yl]-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=LCYQSUADYIKPJK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50140216   
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))
BDBM50140216
PNG
(CHEMBL416535 | [5-(4-Chloro-phenyl)-1-(2,4-dichlor...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3F3N5O/c27-18-6-4-16(5-7-18)24-33-23(34-37(24)22-9-8-19(28)15-21(22)29)25(38)36-12-10-35(11-13-36)20-3-1-2-17(14-20)26(30,31)32/h1-9,14-15H,10-13H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair