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SMILES: Cc1onc(c1CN=Nc1c(Cl)cncc1Cl)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=HHODSFNPWTYNAK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178568   
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
Substance-P receptor


(Homo sapiens (Human))		BDBM50178568
PNG
(1-((3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)m...)
Show SMILES Cc1onc(c1CN=Nc1c(Cl)cncc1Cl)-c1c(Cl)cccc1Cl |w:7.7,(18.91,-20.24,;17.76,-19.21,;16.26,-19.53,;15.5,-18.19,;16.54,-17.05,;17.93,-17.65,;19.26,-16.88,;20.6,-17.64,;21.93,-16.87,;23.26,-17.64,;24.59,-16.86,;24.57,-15.32,;25.92,-17.62,;25.93,-19.17,;24.6,-19.94,;23.26,-19.17,;21.93,-19.94,;16.21,-15.54,;14.75,-15.08,;13.62,-16.12,;14.42,-13.58,;15.57,-12.54,;17.04,-13.01,;17.36,-14.51,;18.82,-14.99,)|
Show InChI InChI=1S/C16H10Cl4N4O/c1-8-9(5-22-23-16-12(19)6-21-7-13(16)20)15(24-25-8)14-10(17)3-2-4-11(14)18/h2-4,6-7H,5H2,1H3
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MMDB

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 15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair