BDBM50243253 CHEMBL4095781

SMILES: O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=QESCDVPTQCSNHI-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 = 50243253   

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))	BDBM50243253 (CHEMBL4095781) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H24N8O4S2/c36-26(31-20-7-9-21(10-8-20)41(37,38)34-27-29-12-17-40-27)30-19-5-3-18(4-6-19)23-32-24-22(2-1-11-28-24)25(33-23)35-13-15-39-16-14-35/h1-12,17H,13-16H2,(H,29,34)(H2,30,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50243253 (CHEMBL4095781) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H24N8O4S2/c36-26(31-20-7-9-21(10-8-20)41(37,38)34-27-29-12-17-40-27)30-19-5-3-18(4-6-19)23-32-24-22(2-1-11-28-24)25(33-23)35-13-15-39-16-14-35/h1-12,17H,13-16H2,(H,29,34)(H2,30,31,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair