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BDBM260128 US9522886, 76::US9522886, 81

SMILES: NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1

InChI Key: InChIKey=BAGYVUOKBZQDNO-UHFFFAOYSA-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 = 260128   
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))
BDBM260128
PNG
(US9522886, 76 | US9522886, 81)
Show SMILES NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H22FN3O4S/c22-15-5-1-13(2-6-15)9-18-16(14-3-4-14)7-8-17(24-18)20(27)25-21(10-19(23)26)11-30(28,29)12-21/h1-2,5-8,14H,3-4,9-12H2,(H2,23,26)(H,25,27)
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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 0.100n/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))
BDBM260128
PNG
(US9522886, 76 | US9522886, 81)
Show SMILES NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H22FN3O4S/c22-15-5-1-13(2-6-15)9-18-16(14-3-4-14)7-8-17(24-18)20(27)25-21(10-19(23)26)11-30(28,29)12-21/h1-2,5-8,14H,3-4,9-12H2,(H2,23,26)(H,25,27)
PDB

NCI pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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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))
BDBM260128
PNG
(US9522886, 76 | US9522886, 81)
Show SMILES NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H22FN3O4S/c22-15-5-1-13(2-6-15)9-18-16(14-3-4-14)7-8-17(24-18)20(27)25-21(10-19(23)26)11-30(28,29)12-21/h1-2,5-8,14H,3-4,9-12H2,(H2,23,26)(H,25,27)
PDB

NCI pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/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))
BDBM260128
PNG
(US9522886, 76 | US9522886, 81)
Show SMILES NC(=O)CC1(CS(=O)(=O)C1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H22FN3O4S/c22-15-5-1-13(2-6-15)9-18-16(14-3-4-14)7-8-17(24-18)20(27)25-21(10-19(23)26)11-30(28,29)12-21/h1-2,5-8,14H,3-4,9-12H2,(H2,23,26)(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15n/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