BDBM50394861 CHEMBL2165029

SMILES: COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1

InChI Key: InChIKey=UMNVNHUOVNNHPM-UHFFFAOYSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50394861   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 gamma isoform (Homo sapiens (Human))	BDBM50394861 (CHEMBL2165029) Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1 Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50394861 (CHEMBL2165029) Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1 Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50394861 (CHEMBL2165029) Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1 Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50394861 (CHEMBL2165029) Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1 Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50394861 (CHEMBL2165029) Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1 Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged mTOR-mediated 4EBP1 phosphorylation after 90 mins by FRET assay				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
					More data for this Ligand-Target Pair