BDBM245538 US9428503, 68

SMILES: CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O

InChI Key: InChIKey=QNJITDREARMZMY-RTBURBONSA-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 = 245538   

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))	BDBM245538 (US9428503, 68) Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r| Show InChI InChI=1S/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.208	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))	BDBM245538 (US9428503, 68) Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r| Show InChI InChI=1S/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/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	3.18E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM245538 (US9428503, 68) Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r| Show InChI InChI=1S/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/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	644	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))	BDBM245538 (US9428503, 68) Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r| Show InChI InChI=1S/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.90E+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