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SMILES: NC(=O)C[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccc(Cl)c1

InChI Key: InChIKey=DWIKTISJNINHMA-LJQANCHMSA-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 = 260095   
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))
BDBM260095
PNG
(US9522886, 43)
Show SMILES NC(=O)C[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-16-3-1-2-15(10-16)19(11-20(24)27)25-21(28)18-9-8-17(14-6-7-14)22(26-18)29-12-13-4-5-13/h1-3,8-10,13-14,19H,4-7,11-12H2,(H2,24,27)(H,25,28)/t19-/m1/s1
PDB

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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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260095
PNG
(US9522886, 43)
Show SMILES NC(=O)C[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-16-3-1-2-15(10-16)19(11-20(24)27)25-21(28)18-9-8-17(14-6-7-14)22(26-18)29-12-13-4-5-13/h1-3,8-10,13-14,19H,4-7,11-12H2,(H2,24,27)(H,25,28)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 105n/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 US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair