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BDBM50309032 (3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxamide::CHEMBL590346

SMILES: Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=QDLHWWNUZMPENW-OSPHWJPCSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309032   
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))
BDBM50309032
PNG
((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
63n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309032
PNG
((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z
More data for this
Ligand-Target Pair