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 = 'BDBM50232451'   

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))	BDBM50232451 (CHEMBL4064155 | US10214537, Example 267) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO |r| Show InChI InChI=1S/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+	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	1.5	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))	BDBM50232451 (CHEMBL4064155 | US10214537, Example 267) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO |r| Show InChI InChI=1S/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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))	BDBM50232451 (CHEMBL4064155 | US10214537, Example 267) Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO |r| Show InChI InChI=1S/C28H34N8O3/c1-18-14-33(26(38)16-37)15-19(2)34(18)22-5-3-4-20(12-22)25-13-23(27-28(29)30-17-32-36(25)27)24-6-9-31-35(24)21-7-10-39-11-8-21/h3-6,9,12-13,17-19,21,37H,7-8,10-11,14-16H2,1-2H3,(H2,29,30,32)/t18-,19+	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins				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