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BDBM50310002 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-N-(1-phenylcyclopropyl)-1H-pyrazole-3-carboxamide::CHEMBL597337

SMILES: Clc1ccccc1-n1nc(C(=O)NC2CC2c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1

InChI Key: InChIKey=LLOKCPYKPGYLJD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50310002   
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))
BDBM50310002
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...)
Show SMILES Clc1ccccc1-n1nc(C(=O)NC2CC2c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C28H22BrClN6O/c29-20-12-10-19(11-13-20)27-22(15-35-17-31-16-32-35)26(34-36(27)25-9-5-4-8-23(25)30)28(37)33-24-14-21(24)18-6-2-1-3-7-18/h1-13,16-17,21,24H,14-15H2,(H,33,37)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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))
BDBM50310002
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...)
Show SMILES Clc1ccccc1-n1nc(C(=O)NC2CC2c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C28H22BrClN6O/c29-20-12-10-19(11-13-20)27-22(15-35-17-31-16-32-35)26(34-36(27)25-9-5-4-8-23(25)30)28(37)33-24-14-21(24)18-6-2-1-3-7-18/h1-13,16-17,21,24H,14-15H2,(H,33,37)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98n/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