BDBM50396322 CHEMBL2172629

SMILES: CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12

InChI Key: InChIKey=CCXBYTLKYILHRE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50396322   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50396322 (CHEMBL2172629) Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12 Show InChI InChI=1S/C16H15N9O/c1-9-19-11(8-13(20-9)21-10(2)26)15-16(22-12-5-7-17-24-12)23-14-4-3-6-18-25(14)15/h3-8H,1-2H3,(H2,17,22,24)(H,19,20,21,26)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR by LanthaScreen assay				Bioorg Med Chem Lett 22: 4967-74 (2012) Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396322 (CHEMBL2172629) Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12 Show InChI InChI=1S/C16H15N9O/c1-9-19-11(8-13(20-9)21-10(2)26)15-16(22-12-5-7-17-24-12)23-14-4-3-6-18-25(14)15/h3-8H,1-2H3,(H2,17,22,24)(H,19,20,21,26)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by AlphaScreen assay				Bioorg Med Chem Lett 22: 4967-74 (2012) Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN
					More data for this Ligand-Target Pair