BDBM50380314 CHEMBL2017648

SMILES: Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1

InChI Key: InChIKey=ZKIFWXXJISFGDP-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 = 50380314   

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))	BDBM50380314 (CHEMBL2017648) Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5OS/c18-12-3-1-11(2-4-12)14-13(9-19)17(23-5-7-24-8-6-23)25-15(14)16-20-10-21-22-16/h1-4,10H,5-8H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				ACS Med Chem Lett 2: 809-813 (2011) Article DOI: 10.1021/ml200126j BindingDB Entry DOI: 10.7270/Q2DJ5GN2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50380314 (CHEMBL2017648) Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5OS/c18-12-3-1-11(2-4-12)14-13(9-19)17(23-5-7-24-8-6-23)25-15(14)16-20-10-21-22-16/h1-4,10H,5-8H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mTOR				ACS Med Chem Lett 2: 809-813 (2011) Article DOI: 10.1021/ml200126j BindingDB Entry DOI: 10.7270/Q2DJ5GN2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50380314 (CHEMBL2017648) Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5OS/c18-12-3-1-11(2-4-12)14-13(9-19)17(23-5-7-24-8-6-23)25-15(14)16-20-10-21-22-16/h1-4,10H,5-8H2,(H,20,21,22)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at S473 by cell based assay				ACS Med Chem Lett 2: 809-813 (2011) Article DOI: 10.1021/ml200126j BindingDB Entry DOI: 10.7270/Q2DJ5GN2
					More data for this Ligand-Target Pair