new BindingDB logo
myBDB logout

BDBM50310019 (4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazol-3-yl)(4-(2,3-dimethylphenyl)piperazin-1-yl)methanone::CHEMBL599881

SMILES: Cc1cccc(N2CCN(CC2)C(=O)c2nn(c(c2Cn2cncn2)-c2ccc(Cl)cc2)-c2ccccc2Cl)c1C

InChI Key: InChIKey=RTHDKKSJUWSFDQ-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 = 50310019   
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))
BDBM50310019
PNG
((4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chlorophen...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2nn(c(c2Cn2cncn2)-c2ccc(Cl)cc2)-c2ccccc2Cl)c1C
Show InChI InChI=1S/C31H29Cl2N7O/c1-21-6-5-9-27(22(21)2)37-14-16-38(17-15-37)31(41)29-25(18-39-20-34-19-35-39)30(23-10-12-24(32)13-11-23)40(36-29)28-8-4-3-7-26(28)33/h3-13,19-20H,14-18H2,1-2H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.09n/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