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BDBM50312594 4-({4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazin-1-yl}carbonyl)morpholine::CHEMBL1089717

SMILES: Clc1ccc(C(N2CCN(CC2)C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=YUNYXRWJEBHDLA-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50312594   
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))
BDBM50312594
PNG
(4-({4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazi...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-6-7-19(20(24)16-18)21(17-4-2-1-3-5-17)25-8-10-26(11-9-25)22(28)27-12-14-29-15-13-27/h1-7,16,21H,8-15H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
111n/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))
BDBM50312594
PNG
(4-({4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazi...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-6-7-19(20(24)16-18)21(17-4-2-1-3-5-17)25-8-10-26(11-9-25)22(28)27-12-14-29-15-13-27/h1-7,16,21H,8-15H2
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PC cid
PC sid
UniChem
Article
PubMed
618n/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))
BDBM50312594
PNG
(4-({4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazi...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-6-7-19(20(24)16-18)21(17-4-2-1-3-5-17)25-8-10-26(11-9-25)22(28)27-12-14-29-15-13-27/h1-7,16,21H,8-15H2
PDB

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UniChem
Article
PubMed
n/an/a>1.00E+4n/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