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BDBM50242582 4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide::4-[(4-Chlorophenyl)(2,4-dichlorophenyl)methyl]-Ncyclohexylpiperazine-1-carboxamide::CHEMBL529436

SMILES: Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=QOSVXCGYSOHDAF-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50242582   
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))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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Article
PubMed
0.230n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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26n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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PubMed
n/an/a 19n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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n/an/a 367n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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PubMed
n/an/a 104n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)

More data for this
Ligand-Target Pair