BDBM50427319 CHEMBL2325706

SMILES: CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1

InChI Key: InChIKey=OEVJSSULLRZFHY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50427319   

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 ATR (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	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	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+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 electrophysiology assay				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at threonine 308 in human BT474 cells				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427319 (CHEMBL2325706) Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair