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BDBM50310047 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone::CHEMBL597690

SMILES: Clc1ccccc1-n1nc(C(=O)N2CCN(CC2)c2ncccn2)c(Cn2cncn2)c1-c1ccc(Br)cc1

InChI Key: InChIKey=ZRBUOWPRJWXPHF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310047   
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))
BDBM50310047
PNG
((4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromopheny...)
Show SMILES Clc1ccccc1-n1nc(C(=O)N2CCN(CC2)c2ncccn2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C27H23BrClN9O/c28-20-8-6-19(7-9-20)25-21(16-37-18-30-17-33-37)24(34-38(25)23-5-2-1-4-22(23)29)26(39)35-12-14-36(15-13-35)27-31-10-3-11-32-27/h1-11,17-18H,12-16H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22.3n/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