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BDBM50263325 CHEMBL507921::trans-6'-Methoxy-3'-oxo-3'H-spiro[cyclohexane-1,1'-isobenzofuran]-4-carboxylic acid methyl-(2-piperidin-1-yl-ethyl)-amide

SMILES: COc1ccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c2c1

InChI Key: InChIKey=WYQDIMPYESSFEU-QBNMFFNISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263325   
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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50263325
PNG
(CHEMBL507921 | trans-6'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c2c1 |r,wU:9.8,wD:12.15,(-5.23,-6.51,;-6.07,-7.8,;-5.38,-9.18,;-6.22,-10.48,;-5.52,-11.85,;-3.99,-11.93,;-3.02,-13.14,;-3.42,-14.62,;-1.57,-12.59,;-1.65,-11.04,;-1.65,-9.5,;-.32,-8.73,;1.01,-9.5,;1.01,-11.04,;-.32,-11.81,;2.35,-8.74,;2.35,-7.2,;3.68,-9.51,;5.01,-8.75,;3.67,-11.05,;5,-11.83,;5,-13.37,;3.66,-14.12,;3.65,-15.66,;4.98,-16.44,;6.32,-15.67,;6.33,-14.13,;-3.14,-10.64,;-3.83,-9.26,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-16-18(28-2)6-7-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding

Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair