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BDBM50309971 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1S,4S)-4-methylcyclohexyl)-1H-pyrazole-3-carboxamide::CHEMBL604923

SMILES: C[C@H]1CC[C@H](CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SMCNFDJKVMEKSB-MOBUCQHHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309971   
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))
BDBM50309971
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloropheny...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:4.7,1.0,(6.47,-25.77,;4.93,-25.76,;4.15,-27.08,;2.62,-27.08,;1.86,-25.74,;2.62,-24.41,;4.17,-24.42,;.32,-25.74,;-.46,-24.41,;.31,-23.07,;-2,-24.42,;-2.9,-25.66,;-4.36,-25.2,;-4.37,-23.65,;-2.91,-23.17,;-2.3,-21.76,;-3.23,-20.52,;-4.77,-20.55,;-5.27,-19.09,;-4.04,-18.17,;-2.78,-19.06,;-5.71,-22.92,;-5.74,-21.37,;-7.09,-20.63,;-8.41,-21.43,;-9.76,-20.69,;-8.37,-22.98,;-7.02,-23.71,;-5.69,-25.98,;-7.03,-25.21,;-8.35,-25.98,;-8.36,-27.53,;-9.69,-28.3,;-7.02,-28.3,;-5.68,-27.53,;-4.35,-28.3,)|
Show InChI InChI=1S/C26H25Cl3N6O/c1-16-2-9-20(10-3-16)32-26(36)24-21(13-34-15-30-14-31-34)25(17-4-6-18(27)7-5-17)35(33-24)23-11-8-19(28)12-22(23)29/h4-8,11-12,14-16,20H,2-3,9-10,13H2,1H3,(H,32,36)/t16-,20+
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17.1n/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