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BDBM50433527 CHEMBL2381379

SMILES: CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1CC(F)(F)F

InChI Key: InChIKey=VRJUJTMBOARYOG-UHFFFAOYSA-N

Data: 1 KI 3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50433527
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433527 (CHEMBL2381379) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50433527 (CHEMBL2381379) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kgamma expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50433527 (CHEMBL2381379) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433527 (CHEMBL2381379) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
Genentech, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair