Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM245479' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM245479
(US9428503, 6)Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)| Show InChI InChI=1S/C26H30FN5O3/c1-30(2)8-5-9-35-24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)32(26(33)31(23)3)17-10-18(11-17)34-4/h6-7,12-15,17-18H,5,8-11H2,1-4H3/t17-,18+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.05 | 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-protein kinase ATM
(Homo sapiens (Human)) | BDBM245479
(US9428503, 6)Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)| Show InChI InChI=1S/C26H30FN5O3/c1-30(2)8-5-9-35-24-7-6-16(14-29-24)19-12-20-22(13-21(19)27)28-15-23-25(20)32(26(33)31(23)3)17-10-18(11-17)34-4/h6-7,12-15,17-18H,5,8-11H2,1-4H3/t17-,18+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H... |
J Med Chem 61: 3823-3841 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P |
More data for this Ligand-Target Pair | |