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BDBM50309988 4-((1H-1,2,4-Triazol-1-yl)methyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL602102

SMILES: Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=UOOURLYWURRECI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309988   
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 2


(Homo sapiens (Human))
BDBM50309988
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-N-(1-(4-bromophe...)
Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H21BrCl2N6O/c1-17-12-20(28)9-6-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-7-10-21(29)11-8-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.51E+3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell 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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50309988
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-N-(1-(4-bromophe...)
Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H21BrCl2N6O/c1-17-12-20(28)9-6-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-7-10-21(29)11-8-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/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