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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50341725   
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))
BDBM50341725
PNG
(3-amino-N-phenyl-6-(o-tolyl)pyrazine-2-carboxamide...)
Show SMILES Cc1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-12-7-5-6-10-14(12)15-11-20-17(19)16(22-15)18(23)21-13-8-3-2-4-9-13/h2-11H,1H3,(H2,19,20)(H,21,23)
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PC sid
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Patents


Similars

US Patent
2.55E+3n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...


US Patent US10961232 (2021)


BindingDB Entry DOI: 10.7270/Q2VT1W6G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341725
PNG
(3-amino-N-phenyl-6-(o-tolyl)pyrazine-2-carboxamide...)
Show SMILES Cc1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-12-7-5-6-10-14(12)15-11-20-17(19)16(22-15)18(23)21-13-8-3-2-4-9-13/h2-11H,1H3,(H2,19,20)(H,21,23)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
5.05E+3n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...


US Patent US10479784 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WVD
More data for this
Ligand-Target Pair