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BDBM50312596 4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin-1-ylpiperazine-1-carboxamide::CHEMBL1093078

SMILES: Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=BZQDATRLDWHLND-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50312596   
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))
BDBM50312596
PNG
(4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H28Cl2N4O/c24-19-9-10-20(21(25)17-19)22(18-7-3-1-4-8-18)27-13-15-28(16-14-27)23(30)26-29-11-5-2-6-12-29/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,30)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/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))
BDBM50312596
PNG
(4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H28Cl2N4O/c24-19-9-10-20(21(25)17-19)22(18-7-3-1-4-8-18)27-13-15-28(16-14-27)23(30)26-29-11-5-2-6-12-29/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,30)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+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 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))
BDBM50312596
PNG
(4-[(2,4-Dichlorophenyl)(phenyl)methyl]-N-piperidin...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NN2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H28Cl2N4O/c24-19-9-10-20(21(25)17-19)22(18-7-3-1-4-8-18)27-13-15-28(16-14-27)23(30)26-29-11-5-2-6-12-29/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H,26,30)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/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