BDBM50384255 CHEMBL1312643

SMILES: O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1

InChI Key: InChIKey=YHWWKRCQPVDEBT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50384255   

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))	BDBM50384255 (CHEMBL1312643) Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50384255 (CHEMBL1312643) Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50384255 (CHEMBL1312643) Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50384255 (CHEMBL1312643) Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50384255 (CHEMBL1312643) Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell assay				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair