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BDBM268367 3-[2-(morpholin-4-yl)-8-(1H- pyrazol-5-yl)-1,7-naphthyridin-4- yl]pyridin-2-amine::US9549932, 402

SMILES: Nc1ncccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1

InChI Key: InChIKey=HQVPSLJBJOOUAC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 268367   
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))
BDBM268367
PNG
(3-[2-(morpholin-4-yl)-8-(1H- pyrazol-5-yl)-1,7-nap...)
Show SMILES Nc1ncccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
Show InChI InChI=1S/C20H19N7O/c21-20-14(2-1-5-23-20)15-12-17(27-8-10-28-11-9-27)25-18-13(15)3-6-22-19(18)16-4-7-24-26-16/h1-7,12H,8-11H2,(H2,21,23)(H,24,26)
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 299n/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)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair