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 = 'BDBM50239735'   

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))	BDBM50239735 (CHEMBL4102552 | US10214537, Example 626) Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C22H25ClN6O3/c1-12(30)15-6-5-14(17-10-16(23)19-20(24)25-11-26-29(17)19)9-18(15)27-7-8-28(13(2)31)22(3,4)21(27)32/h5-6,9-12,30H,7-8H2,1-4H3,(H2,24,25,26)	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	4.80	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))	BDBM50239735 (CHEMBL4102552 | US10214537, Example 626) Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C22H25ClN6O3/c1-12(30)15-6-5-14(17-10-16(23)19-20(24)25-11-26-29(17)19)9-18(15)27-7-8-28(13(2)31)22(3,4)21(27)32/h5-6,9-12,30H,7-8H2,1-4H3,(H2,24,25,26)	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	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))	BDBM50239735 (CHEMBL4102552 | US10214537, Example 626) Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C22H25ClN6O3/c1-12(30)15-6-5-14(17-10-16(23)19-20(24)25-11-26-29(17)19)9-18(15)27-7-8-28(13(2)31)22(3,4)21(27)32/h5-6,9-12,30H,7-8H2,1-4H3,(H2,24,25,26)	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	31	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))	BDBM50239735 (CHEMBL4102552 | US10214537, Example 626) Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C22H25ClN6O3/c1-12(30)15-6-5-14(17-10-16(23)19-20(24)25-11-26-29(17)19)9-18(15)27-7-8-28(13(2)31)22(3,4)21(27)32/h5-6,9-12,30H,7-8H2,1-4H3,(H2,24,25,26)	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	120	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