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 = 'BDBM50004530'   

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))	BDBM50004530 (CHEMBL2216835) Show SMILES CC[C@H]1CN(CCO1)c1sc(-c2nnc[nH]2)c(c1C#N)-c1ccc(Cl)cc1Cl |r,wD:2.1,(18.27,-30.7,;16.73,-30.72,;15.95,-29.4,;16.7,-28.05,;15.9,-26.74,;14.36,-26.76,;13.62,-28.1,;14.4,-29.42,;16.81,-25.49,;18.35,-25.49,;18.82,-24.02,;20.29,-23.54,;20.76,-22.08,;22.3,-22.08,;22.78,-23.54,;21.53,-24.45,;17.58,-23.12,;16.33,-24.02,;14.87,-23.55,;13.41,-23.08,;17.58,-21.57,;18.91,-20.8,;18.91,-19.25,;17.57,-18.49,;17.57,-16.95,;16.25,-19.26,;16.24,-20.8,;14.91,-21.57,)| Show InChI InChI=1S/C19H17Cl2N5OS/c1-2-12-9-26(5-6-27-12)19-14(8-22)16(13-4-3-11(20)7-15(13)21)17(28-19)18-23-10-24-25-18/h3-4,7,10,12H,2,5-6,9H2,1H3,(H,23,24,25)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	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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