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BDBM50341027 CHEMBL1762296::N-(4,5-dimethylisoxazol-3-yl)-4-(tetrahydro-2H-pyran-4-carbonyl)-1,4-diazepane-1-carboxamide

SMILES: Cc1onc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)c1C

InChI Key: InChIKey=DCMAMTDVFZUNEW-UHFFFAOYSA-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 = 50341027   
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))
BDBM50341027
PNG
(CHEMBL1762296 | N-(4,5-dimethylisoxazol-3-yl)-4-(t...)
Show SMILES Cc1onc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)c1C
Show InChI InChI=1S/C17H26N4O4/c1-12-13(2)25-19-15(12)18-17(23)21-7-3-6-20(8-9-21)16(22)14-4-10-24-11-5-14/h14H,3-11H2,1-2H3,(H,18,19,23)
PDB

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Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50341027
PNG
(CHEMBL1762296 | N-(4,5-dimethylisoxazol-3-yl)-4-(t...)
Show SMILES Cc1onc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)c1C
Show InChI InChI=1S/C17H26N4O4/c1-12-13(2)25-19-15(12)18-17(23)21-7-3-6-20(8-9-21)16(22)14-4-10-24-11-5-14/h14H,3-11H2,1-2H3,(H,18,19,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair