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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR' and Ligand = 'BDBM411840'   
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
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM411840
PNG
(US10392391, Compound I-N-275 | US10787452, Compoun...)
Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12
Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
<20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639SW3
More data for this
Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM411840
PNG
(US10392391, Compound I-N-275 | US10787452, Compoun...)
Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12
Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
<200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56GR
More data for this
Ligand-Target Pair