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BDBM50341000 CHEMBL1762419::N-(5-tert-butylisoxazol-3-yl)-4-(tetrahydrofuran-2-carbonyl)-1,4-diazepane-1-carboxamide

SMILES: CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCO2)no1

InChI Key: InChIKey=PLMZBCHNROYAMU-UHFFFAOYSA-N

Data: 2 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50341000   
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))
BDBM50341000
PNG
(CHEMBL1762419 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCO2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-17(24)22-8-5-7-21(9-10-22)16(23)13-6-4-11-25-13/h12-13H,4-11H2,1-3H3,(H,19,20,24)
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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))
BDBM50341000
PNG
(CHEMBL1762419 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCO2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-17(24)22-8-5-7-21(9-10-22)16(23)13-6-4-11-25-13/h12-13H,4-11H2,1-3H3,(H,19,20,24)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.03E+3n/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