BDBM245531 US9428503, 59

SMILES: Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1

InChI Key: InChIKey=YXJGKECEJNCEIH-JOCHJYFZSA-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 = 245531   

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))	BDBM245531 (US9428503, 59) Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.233	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))	BDBM245531 (US9428503, 59) Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/m1/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	610	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))	BDBM245531 (US9428503, 59) Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/m1/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	264	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))	BDBM245531 (US9428503, 59) Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r| Show InChI InChI=1S/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.91E+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