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BDBM50258007 (S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine::CHEMBL492373

SMILES: Clc1ccc(Nc2ccc(CN3CCO[C@H](C3)c3ccccc3)cn2)c(Cl)c1

InChI Key: InChIKey=UEQFDKPJVORYNS-OAQYLSRUSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50258007   
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))
BDBM50258007
PNG
((S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)...)
Show SMILES Clc1ccc(Nc2ccc(CN3CCO[C@H](C3)c3ccccc3)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C22H21Cl2N3O/c23-18-7-8-20(19(24)12-18)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
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Article
PubMed
2.65E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Win55212 form human CB2 receptor transfected in HEK cells


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258007
PNG
((S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)...)
Show SMILES Clc1ccc(Nc2ccc(CN3CCO[C@H](C3)c3ccccc3)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C22H21Cl2N3O/c23-18-7-8-20(19(24)12-18)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 form human CB2 receptor transfected in HEK cells


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258007
PNG
((S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)...)
Show SMILES Clc1ccc(Nc2ccc(CN3CCO[C@H](C3)c3ccccc3)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C22H21Cl2N3O/c23-18-7-8-20(19(24)12-18)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 1604-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.033
BindingDB Entry DOI: 10.7270/Q2K937DD
More data for this
Ligand-Target Pair