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SMILES: CC(C)(C)[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1

InChI Key: InChIKey=PUZDZCWWZJTZQB-AWEZNQCLSA-N

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 = 240314   
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))
BDBM240314
PNG
(US9409866, 29)
Show SMILES CC(C)(C)[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1S/C16H23ClN2O3/c1-16(2,3)14(8-20)19-15(21)12-6-13(11(17)7-18-12)22-9-10-4-5-10/h6-7,10,14,20H,4-5,8-9H2,1-3H3,(H,19,21)/t14-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240314
PNG
(US9409866, 29)
Show SMILES CC(C)(C)[C@H](CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 |r|
Show InChI InChI=1S/C16H23ClN2O3/c1-16(2,3)14(8-20)19-15(21)12-6-13(11(17)7-18-12)22-9-10-4-5-10/h6-7,10,14,20H,4-5,8-9H2,1-3H3,(H,19,21)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 64.6n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9409866 (2016)


BindingDB Entry DOI: 10.7270/Q2FX78BD
More data for this
Ligand-Target Pair