BDBM245542 US9428503, 26

SMILES: CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O

InChI Key: InChIKey=ZPOCWOPPQUMNCW-SFTDATJTSA-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 = 245542   

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))	BDBM245542 (US9428503, 26) Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r| Show InChI InChI=1S/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.152	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))	BDBM245542 (US9428503, 26) Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r| Show InChI InChI=1S/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/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	360	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))	BDBM245542 (US9428503, 26) Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r| Show InChI InChI=1S/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/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	331	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))	BDBM245542 (US9428503, 26) Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r| Show InChI InChI=1S/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.18E+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