BDBM245513 US9428503, 41

SMILES: CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1

InChI Key: InChIKey=ARZGDKFYXFLWNZ-IBGZPJMESA-N

Data: 4 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 4 hits for monomerid = 245513   

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))	BDBM245513 (US9428503, 41) Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r| Show InChI InChI=1S/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.555	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 mTOR (Homo sapiens (Human))	BDBM245513 (US9428503, 41) Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r| Show InChI InChI=1S/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/m0/s1	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	395	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM245513 (US9428503, 41) Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r| Show InChI InChI=1S/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/m0/s1	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	267	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM245513 (US9428503, 41) Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r| Show InChI InChI=1S/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.94E+3	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