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BDBM50312591 1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine::CHEMBL1087644

SMILES: Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=ZUPVKGBBKNFLPT-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 = 50312591   
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))
BDBM50312591
PNG
(1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phe...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c25-20-11-12-21(22(26)17-20)23(18-7-3-1-4-8-18)27-13-15-28(16-14-27)24(29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80n/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))
BDBM50312591
PNG
(1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phe...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c25-20-11-12-21(22(26)17-20)23(18-7-3-1-4-8-18)27-13-15-28(16-14-27)24(29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2
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CHEMBL
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PC sid
UniChem
Article
PubMed
2.93E+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))
BDBM50312591
PNG
(1-(Cyclohexylcarbonyl)-4-[(2,4-dichlorophenyl)(phe...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C2CCCCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O/c25-20-11-12-21(22(26)17-20)23(18-7-3-1-4-8-18)27-13-15-28(16-14-27)24(29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,17,19,23H,2,5-6,9-10,13-16H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30n/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