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BDBM50309031 (3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dichlorophenyl)piperidine-3-carboxamide::CHEMBL609266

SMILES: Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1

InChI Key: InChIKey=BVGCJYLWSMDDMH-SZNDQCEHSA-N

Data: 2 KI

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 2 hits for monomerid = 50309031   
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))
BDBM50309031
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 |r|
Show InChI InChI=1S/C22H23Cl3N2O/c23-15-5-8-18(9-6-15)27-13-14(22(28)26-17-2-1-3-17)4-11-21(27)19-10-7-16(24)12-20(19)25/h5-10,12,14,17,21H,1-4,11,13H2,(H,26,28)/t14-,21+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/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))
BDBM50309031
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 |r|
Show InChI InChI=1S/C22H23Cl3N2O/c23-15-5-8-18(9-6-15)27-13-14(22(28)26-17-2-1-3-17)4-11-21(27)19-10-7-16(24)12-20(19)25/h5-10,12,14,17,21H,1-4,11,13H2,(H,26,28)/t14-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38E+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