new BindingDB logo
myBDB logout

BDBM50310054 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL598550

SMILES: Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1

InChI Key: InChIKey=MULCUTGPHOESKD-UHFFFAOYSA-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 = 50310054   
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))
BDBM50310054
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C24H21BrCl2N6O/c25-17-6-4-16(5-7-17)23-19(13-32-15-28-14-29-32)22(24(34)31-10-2-1-3-11-31)30-33(23)21-9-8-18(26)12-20(21)27/h4-9,12,14-15H,1-3,10-11,13H2
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.11n/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