BDBM245477 US9428503, 4

SMILES: CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1

InChI Key: InChIKey=WGCDXRFFSPQJBW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 245477   

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-protein kinase ATM (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...				US Patent US9428503 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GVJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description Assay b) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 6000 cells/well in 40 μl EMEM medium c...				US Patent US9428503 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description Assay c) BT474 cells (human breast ductal carcinoma, ATCC HTB-20) were seeded into black 384 well plates (Costar, #3712) at a density of 5600 cells/w...				US Patent US9428503 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GVJ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 electrophysiology assay				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 HT29 cells assessed as decrease in Chk1 phosphorylation at Ser 345 preincubated for 1 hr followed by 4NQO addition and mea...				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM245477 (US9428503, 4) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1 Show InChI InChI=1S/C24H27N5O3/c1-27(2)9-4-10-32-22-8-6-17(12-26-22)16-5-7-20-19(11-16)23-21(13-25-20)28(3)24(30)29(23)18-14-31-15-18/h5-8,11-13,18H,4,9-10,14-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description Assay d) MDA-MB-468 cells (human breast adenocarcinoma ##ATCC HTB 132) were seeded at 1500 cells/well in 40 μl of DMEM containing 10% FBS and 1% g...				US Patent US9428503 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GVJ
					More data for this Ligand-Target Pair