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BDBM50310044 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1R,4R)-4-methylcyclohexyl)-1H-pyrazole-3-carboxamide::CHEMBL598091

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

InChI Key: InChIKey=SMCNFDJKVMEKSB-UKIBZPOASA-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 = 50310044   
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))
BDBM50310044
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,wD:1.0,(26.91,-26.66,;25.37,-26.65,;24.61,-25.32,;23.06,-25.31,;22.3,-26.64,;23.06,-27.98,;24.59,-27.98,;20.76,-26.64,;19.98,-25.31,;20.75,-23.97,;18.44,-25.31,;17.54,-26.56,;16.08,-26.1,;16.07,-24.55,;17.53,-24.07,;18.14,-22.65,;17.21,-21.42,;15.67,-21.45,;15.17,-19.99,;16.4,-19.07,;17.66,-19.95,;14.73,-23.81,;14.7,-22.27,;13.35,-21.53,;12.03,-22.33,;10.68,-21.59,;12.07,-23.87,;13.42,-24.61,;14.75,-26.87,;13.41,-26.11,;12.09,-26.88,;12.08,-28.43,;10.75,-29.19,;13.41,-29.2,;14.76,-28.43,;16.09,-29.19,)|
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 14.2n/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