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BDBM240576 US9409866, 291::US9409866, 292

SMILES: CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1

InChI Key: InChIKey=NPIAKGYVHUCRPU-UHFFFAOYNA-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 = 240576   
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))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
PDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.90n/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair