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BDBM50312595 CHEMBL1089718::N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide

SMILES: CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=KBCABXWNLQBGLN-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 = 50312595   
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))
BDBM50312595
PNG
(CHEMBL1089718 | N-Butyl-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-2-3-11-25-22(28)27-14-12-26(13-15-27)21(17-7-5-4-6-8-17)19-10-9-18(23)16-20(19)24/h4-10,16,21H,2-3,11-15H2,1H3,(H,25,28)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
103n/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))
BDBM50312595
PNG
(CHEMBL1089718 | N-Butyl-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-2-3-11-25-22(28)27-14-12-26(13-15-27)21(17-7-5-4-6-8-17)19-10-9-18(23)16-20(19)24/h4-10,16,21H,2-3,11-15H2,1H3,(H,25,28)
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PC cid
PC sid
UniChem
Article
PubMed
918n/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))
BDBM50312595
PNG
(CHEMBL1089718 | N-Butyl-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-2-3-11-25-22(28)27-14-12-26(13-15-27)21(17-7-5-4-6-8-17)19-10-9-18(23)16-20(19)24/h4-10,16,21H,2-3,11-15H2,1H3,(H,25,28)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 173n/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