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BDBM268054 4-(5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine::US9549932, 86

SMILES: C[C@@H]1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1

InChI Key: InChIKey=JIKDIJPAUMERDG-OEPVSBQMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 268054   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268054
PNG
(4-(5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-[(...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H32N8O2/c1-19-18-36-15-13-34(19)23-16-22(33-12-11-32-10-9-28-24(32)17-33)20-5-7-29-27(26(20)31-23)21-6-8-30-35(21)25-4-2-3-14-37-25/h5-10,16,19,25H,2-4,11-15,17-18H2,1H3/t19-,25?/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 10.9n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair