BDBM50387588 CHEMBL2057728::US8633204, 205

SMILES: Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1

InChI Key: InChIKey=XDXSZXPYYXPVRA-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50387588   

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 (PI3K alpha) (Mus musculus (Mouse))	BDBM50387588 (CHEMBL2057728 | US8633204, 205) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387588 (CHEMBL2057728 | US8633204, 205) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50387588 (CHEMBL2057728 | US8633204, 205) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair