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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50341711'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341711
PNG
(CHEMBL479488 | schisandrin B)
Show SMILES COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Show InChI InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
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Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341711
PNG
(CHEMBL479488 | schisandrin B)
Show SMILES COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Show InChI InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiography


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair