Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50004531'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50004531 (CHEMBL2216854) Show SMILES CC(=O)Nc1nc2CCc3c(nn(C4CCC(CC4)C(=O)N[C@H]4CC[C@@H](CC4)N4CCCC4)c3-c2s1)C1CC1 |r,wU:22.22,wD:25.29,(13.94,-25.73,;14.1,-27.26,;15.51,-27.88,;12.86,-28.17,;13.03,-29.71,;14.36,-30.47,;14.05,-31.97,;14.96,-33.22,;14.34,-34.62,;12.81,-34.78,;11.91,-36.03,;10.45,-35.56,;10.44,-34.02,;9.11,-33.23,;7.77,-34,;6.44,-33.23,;6.45,-31.7,;7.78,-30.91,;9.11,-31.69,;5.11,-30.93,;5.11,-29.39,;3.78,-31.7,;3.78,-33.23,;5.11,-34.01,;5.11,-35.55,;3.78,-36.32,;2.45,-35.55,;2.45,-34.01,;3.78,-37.86,;2.54,-38.77,;3.01,-40.23,;4.55,-40.23,;5.03,-38.77,;11.91,-33.54,;12.52,-32.13,;11.9,-30.74,;12.4,-37.49,;12.08,-39,;13.54,-38.52,)| Show InChI InChI=1S/C30H42N6O2S/c1-18(37)31-30-33-25-15-14-24-26(19-4-5-19)34-36(27(24)28(25)39-30)23-10-6-20(7-11-23)29(38)32-21-8-12-22(13-9-21)35-16-2-3-17-35/h19-23H,2-17H2,1H3,(H,32,38)(H,31,33,37)/t20?,21-,22-,23?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
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