Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50239727'   

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))	BDBM50239727 (CHEMBL4105075 | US10214537, Example 412) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O2/c1-15(33)31-9-8-30(23(34)24(31,2)3)18-7-5-6-16(10-18)20-11-19(17-12-27-29(4)13-17)21-22(25)26-14-28-32(20)21/h5-7,10-14H,8-9H2,1-4H3,(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 Patents 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))	BDBM50239727 (CHEMBL4105075 | US10214537, Example 412) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O2/c1-15(33)31-9-8-30(23(34)24(31,2)3)18-7-5-6-16(10-18)20-11-19(17-12-27-29(4)13-17)21-22(25)26-14-28-32(20)21/h5-7,10-14H,8-9H2,1-4H3,(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 Patents Similars	US Patent	n/a	n/a	4	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))	BDBM50239727 (CHEMBL4105075 | US10214537, Example 412) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O2/c1-15(33)31-9-8-30(23(34)24(31,2)3)18-7-5-6-16(10-18)20-11-19(17-12-27-29(4)13-17)21-22(25)26-14-28-32(20)21/h5-7,10-14H,8-9H2,1-4H3,(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 Patents Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239727 (CHEMBL4105075 | US10214537, Example 412) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O2/c1-15(33)31-9-8-30(23(34)24(31,2)3)18-7-5-6-16(10-18)20-11-19(17-12-27-29(4)13-17)21-22(25)26-14-28-32(20)21/h5-7,10-14H,8-9H2,1-4H3,(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 Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair