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BDBM240357 US9409866, 72::US9409866, 73

SMILES: C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F

InChI Key: InChIKey=KWDRDSMKCSDYLL-YSEGJXBRNA-N

Data: 4 EC50

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 4 hits for monomerid = 240357   
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 2


(Homo sapiens (Human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F |r|
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
PDB

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PC cid
PC sid
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US Patent
n/an/an/an/a 2.70n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F |r|
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F |r|
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
PDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 190n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240357
PNG
(US9409866, 72 | US9409866, 73)
Show SMILES C[C@@H](Oc1cc(ncc1C1CC1)C(=O)NC(C)(C1CC1)c1noc(C)n1)C(F)(F)F |r|
Show InChI InChI=1/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.25n/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)

More data for this
Ligand-Target Pair