Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM339973'   

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 alpha isoform (Homo sapiens (Human))	BDBM339973 (US10329299, Compound 3 | US10675286, Compound 3 | ...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9775844 (2017) BindingDB Entry DOI: 10.7270/Q2GQ70WH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM339973 (US10329299, Compound 3 | US10675286, Compound 3 | ...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				US Patent US10675286 (2020) BindingDB Entry DOI: 10.7270/Q2RX9G4R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM339973 (US10329299, Compound 3 | US10675286, Compound 3 | ...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2KK9F5S
					More data for this Ligand-Target Pair