Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50203701'   

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))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as reduction in anti-IgM induced CD86 expression preincubated for 1 hr followed by anti-IgM ...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair