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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50341003'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341003
PNG
(CHEMBL1762422 | Trans-N-(5-tert-butylisoxazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,wD:22.23,(7.53,-39.36,;6.3,-38.45,;6.48,-36.92,;7.62,-37.67,;4.89,-39.06,;3.56,-38.27,;2.4,-39.29,;.9,-38.96,;-.14,-40.09,;.32,-41.56,;-1.64,-39.76,;-1.99,-38.27,;-3.39,-37.61,;-4.8,-38.36,;-5.06,-39.83,;-4.11,-41.01,;-2.63,-41.01,;-6.55,-40.22,;-6.97,-41.7,;-7.63,-39.12,;-9.11,-39.51,;-10.19,-38.4,;-9.77,-36.92,;-10.84,-35.81,;-8.28,-36.54,;-7.21,-37.64,;3.02,-40.71,;4.55,-40.56,)|
Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15-
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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