BindingDB PrimarySearch

BDBM50208517 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one::CHEMBL222102::KU-55933

SMILES: O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1

InChI Key: InChIKey=XRKYMMUGXMWDAO-UHFFFAOYSA-N

Data: 1 KI 18 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50208517
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of ATM				Chem Biol 12: 621-37 (2005) Article DOI: 10.1016/j.chembiol.2005.04.011 BindingDB Entry DOI: 10.7270/Q2R49RR6
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of DNA-PK in HeLa cell nuclear extracts				J Med Chem 50: 1958-72 (2007) Article DOI: 10.1021/jm061121y BindingDB Entry DOI: 10.7270/Q2FB52MW
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of ATM kinase				J Med Chem 50: 1958-72 (2007) Article DOI: 10.1021/jm061121y BindingDB Entry DOI: 10.7270/Q2FB52MW
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM in human U2OS cells assessed as inhibition of p53 phosphorylation at Ser15 residue				J Med Chem 59: 559-77 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D0W
Duke University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ATM using p53 as substrate preincubated for 10 mins by ELISA				J Med Chem 59: 559-77 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D0W
Duke University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D0W
Duke University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of mTOR by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kgamma using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged recombinant mTOR (1362 to 2549 residues) (unknown origin) using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-P...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one \| C...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA				Bioorg Med Chem Lett 22: 5352-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.053 BindingDB Entry DOI: 10.7270/Q23J3F2G
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)