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BDBM210694 US9290451, 346

SMILES: CC(C)CSc1nc(ccc1C1CC1)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=YOQMNGPKORZOQG-INIZCTEOSA-N

Data: 2 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 2 hits for monomerid = 210694   
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))
BDBM210694
PNG
(US9290451, 346)
Show SMILES CC(C)CSc1nc(ccc1C1CC1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C19H29N3O2S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM210694
PNG
(US9290451, 346)
Show SMILES CC(C)CSc1nc(ccc1C1CC1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C19H29N3O2S/c1-11(2)9-16(17(20)23)21-18(24)15-8-7-14(13-5-6-13)19(22-15)25-10-12(3)4/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,20,23)(H,21,24)/t16-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 US9290451 (2016)


BindingDB Entry DOI: 10.7270/Q20Z724J
More data for this
Ligand-Target Pair