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BDBM50309027 (3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-isopentylpiperidine-3-sulfonamide::CHEMBL598125

SMILES: CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=KSDRPQTZVHRPOI-KNQAVFIVSA-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 = 50309027   
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))
BDBM50309027
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
9.10n/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))
BDBM50309027
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/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