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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50316259'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair