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BDBM50310036 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-N-cycloheptyl-1H-pyrazole-3-carboxamide::CHEMBL603451

SMILES: Clc1ccccc1-n1nc(C(=O)NC2CCCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1

InChI Key: InChIKey=XLZXHELEKUKSMR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310036   
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))
BDBM50310036
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...)
Show SMILES Clc1ccccc1-n1nc(C(=O)NC2CCCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C26H26BrClN6O/c27-19-13-11-18(12-14-19)25-21(15-33-17-29-16-30-33)24(26(35)31-20-7-3-1-2-4-8-20)32-34(25)23-10-6-5-9-22(23)28/h5-6,9-14,16-17,20H,1-4,7-8,15H2,(H,31,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 18: 1149-62 (2010)


Article DOI: 10.1016/j.bmc.2009.12.040
BindingDB Entry DOI: 10.7270/Q2TD9XG2
More data for this
Ligand-Target Pair