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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 = 'BDBM50029924'   
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))		BDBM50029924
PNG
(CHEMBL3353427)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCO)c1=O |(22.97,-9.81,;21.64,-10.59,;21.64,-12.13,;20.31,-12.9,;18.97,-12.13,;18.96,-10.6,;20.3,-9.82,;17.64,-12.91,;16.3,-12.14,;16.3,-10.6,;14.98,-12.92,;13.64,-12.16,;12.31,-12.94,;10.98,-12.17,;9.65,-12.94,;9.65,-14.49,;10.98,-15.26,;12.31,-14.48,;13.65,-15.25,;13.65,-16.79,;14.99,-17.55,;16.32,-16.78,;17.66,-17.55,;18.99,-16.77,;14.98,-14.47,;16.32,-15.24,)|
Show InChI InChI=1S/C20H27N3O3/c1-14-6-8-16(9-7-14)22-19(25)17-13-15-5-4-10-21-18(15)23(20(17)26)11-2-3-12-24/h4-5,10,13-14,16,24H,2-3,6-9,11-12H2,1H3,(H,22,25)
PDB

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PC cid
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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...

J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair