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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50259764   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50259764
PNG
(CHEMBL4105575)
Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCC(CC4)C4CC(F)C4)c3c(=O)n2-c2ccccc2)c1C#N |r,wD:10.11,(17.77,-40.78,;17.47,-39.27,;16.01,-38.78,;15.71,-37.27,;16.86,-36.25,;18.32,-36.74,;19.48,-35.73,;20.98,-36.06,;21.77,-34.74,;20.75,-33.58,;19.34,-34.19,;18.01,-33.4,;16.66,-34.16,;15.34,-33.37,;14,-34.13,;12.68,-33.35,;12.69,-31.81,;14.04,-31.05,;14.05,-29.51,;14.07,-27.97,;14.09,-26.43,;15.43,-25.68,;16.74,-26.47,;18.08,-25.72,;18.11,-24.18,;16.79,-23.39,;15.43,-24.14,;19.46,-23.42,;20.94,-23.84,;21.35,-22.36,;22.7,-21.61,;19.88,-21.94,;15.36,-31.83,;16.7,-31.08,;16.72,-29.54,;18.02,-31.86,;19.37,-31.11,;20.7,-31.9,;22.04,-31.14,;22.06,-29.6,;20.73,-28.82,;19.38,-29.57,;18.63,-38.25,;20.08,-38.75,;21.54,-39.24,)|
Show InChI InChI=1S/C35H35FN8O/c36-26-19-25(20-26)23-13-17-42(18-14-23)15-5-8-24-7-4-11-29-31(24)35(45)44(27-9-2-1-3-10-27)34(41-29)30-12-6-16-43(30)33-28(21-37)32(38)39-22-40-33/h1-4,7,9-11,22-23,25-26,30H,6,12-20H2,(H2,38,39,40)/t25?,26?,30-/m0/s1
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Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay

Eur J Med Chem 125: 1156-1171 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.014
BindingDB Entry DOI: 10.7270/Q2FF3VTC
More data for this
Ligand-Target Pair