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SMILES: CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCN(CC2)S(C)(=O)=O)no1

InChI Key: InChIKey=NQVCPQKYUYPTPL-UHFFFAOYSA-N

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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 = 50341010   
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))
BDBM50341010
PNG
(CHEMBL1762430 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H32N6O5S/c1-19(2,3)15-14-16(21-30-15)20-17(26)22-6-5-7-23(9-8-22)18(27)24-10-12-25(13-11-24)31(4,28)29/h14H,5-13H2,1-4H3,(H,20,21,26)
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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))
BDBM50341010
PNG
(CHEMBL1762430 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H32N6O5S/c1-19(2,3)15-14-16(21-30-15)20-17(26)22-6-5-7-23(9-8-22)18(27)24-10-12-25(13-11-24)31(4,28)29/h14H,5-13H2,1-4H3,(H,20,21,26)
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PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.87E+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