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BDBM268244 US9549932, 277

SMILES: C[C@@H]1COCCN1c1cc(N=S(C)(=O)c2ccc(Br)cc2)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key: InChIKey=BYBSGRCHGMAUIZ-XFEJJUOQNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 268244   
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))
BDBM268244
PNG
(US9549932, 277)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)c2ccc(Br)cc2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1/C23H23BrN6O2S/c1-15-14-32-12-11-30(15)21-13-20(29-33(2,31)17-5-3-16(24)4-6-17)18-7-9-25-23(22(18)27-21)19-8-10-26-28-19/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)/t15-,33?/s2
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 78.2n/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