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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 420880   
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))
BDBM420880
PNG
(US10479784, Compound III-8 | US10961232, Compound ...)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H21N7O/c23-20-19(21-27-16-3-1-2-4-17(16)28-21)26-18(13-25-20)14-5-7-15(8-6-14)22(30)29-11-9-24-10-12-29/h1-8,13,24H,9-12H2,(H2,23,25)(H,27,28)
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<10n/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))
BDBM420880
PNG
(US10479784, Compound III-8 | US10961232, Compound ...)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H21N7O/c23-20-19(21-27-16-3-1-2-4-17(16)28-21)26-18(13-25-20)14-5-7-15(8-6-14)22(30)29-11-9-24-10-12-29/h1-8,13,24H,9-12H2,(H2,23,25)(H,27,28)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
<10n/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