BDBM50394848 CHEMBL2165015

SMILES: COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1

InChI Key: InChIKey=AXHJCTAXCZSLFA-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 = 50394848   

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 delta isoform (Homo sapiens (Human))	BDBM50394848 (CHEMBL2165015) Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1 Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)	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	6	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 gamma isoform (Homo sapiens (Human))	BDBM50394848 (CHEMBL2165015) Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1 Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)	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	18	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 beta isoform (Homo sapiens (Human))	BDBM50394848 (CHEMBL2165015) Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1 Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50394848 (CHEMBL2165015) Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1 Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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))	BDBM50394848 (CHEMBL2165015) Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1 Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)	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	3.70E+3	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