BDBM50398400 CHEMBL2178606

SMILES: COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1

InChI Key: InChIKey=BRCOIQMZYMWNIS-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50398400   

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 alpha isoform (Homo sapiens (Human))	BDBM50398400 (CHEMBL2178606) Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl...				ACS Med Chem Lett 7: 351-6 (2016) BindingDB Entry DOI: 10.7270/Q2WQ05QD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50398400 (CHEMBL2178606) Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay				J Med Chem 55: 8007-20 (2012) Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50398400 (CHEMBL2178606) Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a...				ACS Med Chem Lett 7: 351-6 (2016) BindingDB Entry DOI: 10.7270/Q2WQ05QD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50398400 (CHEMBL2178606) Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells assessed as reduction in pAKT level by immunoblotting method				J Med Chem 55: 8007-20 (2012) Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152
					More data for this Ligand-Target Pair