Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50232442'   

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))	BDBM50232442 (CHEMBL4093336 | US10214537, Example 302) Show SMILES CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12 Show InChI InChI=1S/C24H28N8O/c1-16(2)31-21(7-8-27-31)20-14-22(32-23(20)24(25)26-15-28-32)18-5-4-6-19(13-18)30-11-9-29(10-12-30)17(3)33/h4-8,13-16H,9-12H2,1-3H3,(H2,25,26,28)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 27: 855-861 (2017) Article DOI: 10.1016/j.bmcl.2017.01.016 BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232442 (CHEMBL4093336 | US10214537, Example 302) Show SMILES CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12 Show InChI InChI=1S/C24H28N8O/c1-16(2)31-21(7-8-27-31)20-14-22(32-23(20)24(25)26-15-28-32)18-5-4-6-19(13-18)30-11-9-29(10-12-30)17(3)33/h4-8,13-16H,9-12H2,1-3H3,(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...				US Patent US10214537 (2019) BindingDB Entry DOI: 10.7270/Q2HH6NB2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232442 (CHEMBL4093336 | US10214537, Example 302) Show SMILES CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12 Show InChI InChI=1S/C24H28N8O/c1-16(2)31-21(7-8-27-31)20-14-22(32-23(20)24(25)26-15-28-32)18-5-4-6-19(13-18)30-11-9-29(10-12-30)17(3)33/h4-8,13-16H,9-12H2,1-3H3,(H2,25,26,28)	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	422	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis				Bioorg Med Chem Lett 27: 855-861 (2017) Article DOI: 10.1016/j.bmcl.2017.01.016 BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair