BDBM245529 US9428503, 57
SMILES: Cn1c2cnc3ccc(cc3c2n(C2CCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
InChI Key: InChIKey=XBNPBSGEEQCUDU-UHFFFAOYSA-N
Data: 4 IC50
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/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM245529 (US9428503, 57) | 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 | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM245529 (US9428503, 57) | 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 | 5.77E+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)) | BDBM245529 (US9428503, 57) | 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 | >1.43E+4 | 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-protein kinase ATM (Homo sapiens (Human)) | BDBM245529 (US9428503, 57) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.434 | 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 |