BDBM245520 US9428503, 48

SMILES: CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F

InChI Key: InChIKey=PMMBGQNKBPHEEE-INIZCTEOSA-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 = 245520   

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))	BDBM245520 (US9428503, 48) Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r| Show InChI InChI=1S/C26H29F2N5O3/c1-31(2)9-5-11-36-23-8-7-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)16-6-4-10-35-15-16/h7-8,12-14,16H,4-6,9-11,15H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	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))	BDBM245520 (US9428503, 48) Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r| Show InChI InChI=1S/C26H29F2N5O3/c1-31(2)9-5-11-36-23-8-7-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)16-6-4-10-35-15-16/h7-8,12-14,16H,4-6,9-11,15H2,1-3H3/t16-/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	2.30E+4	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))	BDBM245520 (US9428503, 48) Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r| Show InChI InChI=1S/C26H29F2N5O3/c1-31(2)9-5-11-36-23-8-7-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)16-6-4-10-35-15-16/h7-8,12-14,16H,4-6,9-11,15H2,1-3H3/t16-/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	>9.40E+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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM245520 (US9428503, 48) Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r| Show InChI InChI=1S/C26H29F2N5O3/c1-31(2)9-5-11-36-23-8-7-17(25(28)30-23)18-12-19-21(13-20(18)27)29-14-22-24(19)33(26(34)32(22)3)16-6-4-10-35-15-16/h7-8,12-14,16H,4-6,9-11,15H2,1-3H3/t16-/m0/s1	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