Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM368657'   

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 beta isoform (Homo sapiens (Human))	BDBM368657 (US10227350, Compound 105 | US10227350, Compound 10...) Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human PC3 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assa...				ACS Med Chem Lett 11: 1236-1243 (2020) Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM368657 (US10227350, Compound 105 | US10227350, Compound 10...) Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human LNCaP C4-2 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesosca...				ACS Med Chem Lett 11: 1236-1243 (2020) Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM368657 (US10227350, Compound 105 | US10227350, Compound 10...) Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human ZR-75-1 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale ...				ACS Med Chem Lett 11: 1236-1243 (2020) Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM368657 (US10227350, Compound 105 | US10227350, Compound 10...) Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-415 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesosca...				ACS Med Chem Lett 11: 1236-1243 (2020) Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM368657 (US10227350, Compound 105 | US10227350, Compound 10...) Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human LNCAP cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale as...				ACS Med Chem Lett 11: 1236-1243 (2020) Article DOI: 10.1021/acsmedchemlett.0c00095 BindingDB Entry DOI: 10.7270/Q2K35Z7J
					More data for this Ligand-Target Pair