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BDBM50312600 4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidin-1-ylpiperazine-1-carboxamide::CHEMBL1091812

SMILES: Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SYVLQVMWFLSCFN-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50312600   
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


(Homo sapiens (Human))
BDBM50312600
PNG
(4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidi...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4O/c1-18-5-7-19(8-6-18)23(21-10-9-20(25)17-22(21)26)28-13-15-29(16-14-28)24(31)27-30-11-3-2-4-12-30/h5-10,17,23H,2-4,11-16H2,1H3,(H,27,31)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312600
PNG
(4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidi...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4O/c1-18-5-7-19(8-6-18)23(21-10-9-20(25)17-22(21)26)28-13-15-29(16-14-28)24(31)27-30-11-3-2-4-12-30/h5-10,17,23H,2-4,11-16H2,1H3,(H,27,31)
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PC cid
PC sid
UniChem
Article
PubMed
317n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312600
PNG
(4-[(2,4-Dichlorophenyl)(p-tolyl)methyl]-N-piperidi...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NN1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4O/c1-18-5-7-19(8-6-18)23(21-10-9-20(25)17-22(21)26)28-13-15-29(16-14-28)24(31)27-30-11-3-2-4-12-30/h5-10,17,23H,2-4,11-16H2,1H3,(H,27,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ ...


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair