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Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'hirose' and Initial = 'w'   
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 Chk1


(Homo sapiens (Human))
BDBM590717
PNG
(5-({5-[2-(3-aminopropoxy)-4-methoxypyridin-3-yl]-1...)
Show SMILES COc1ccnc(OCCCNC(=O)OC(C)(C)C)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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TBA

Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590724
PNG
(US11564920, Example 8)
Show SMILES COc1nccc(OCC2(CO)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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TBA

Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590742
PNG
(US11564920, Example 26)
Show SMILES COc1cncc(OCC2(CNC2)C(F)F)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590727
PNG
(US11564920, Example 11)
Show SMILES COc1cncc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590723
PNG
(US11564920, Example 7)
Show SMILES COc1nccc(OCC2(O)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590730
PNG
(US11564920, Example 14)
Show SMILES COc1cncc(OC[C@@H](O)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590718
PNG
(US11564920, Example 2)
Show SMILES COc1cc(Cl)nc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590719
PNG
(US11564920, Example 3)
Show SMILES COc1cncc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590720
PNG
(US11564920, Example 4)
Show SMILES COc1nccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590725
PNG
(US11564920, Example 9)
Show SMILES COc1cncc(OCC[C@@H](C)N)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590738
PNG
(US11564920, Example 22)
Show SMILES COc1cncc(OC[C@@]2(F)CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590745
PNG
(US11564920, Example 30)
Show SMILES COc1cncc(OC[C@H](F)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590731
PNG
(US11564920, Example 15)
Show SMILES COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(Cl)cn2)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590735
PNG
(US11564920, Example 19)
Show SMILES COc1cncc(O[C@@H]2CCC[C@H](N)C2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590722
PNG
(US11564920, Example 6)
Show SMILES COc1nccc(OCC2(C)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590737
PNG
(US11564920, Example 21)
Show SMILES COc1cncc(OC[C@H]2CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590740
PNG
(US11564920, Example 24)
Show SMILES NCCCOc1cncc(OCF)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590733
PNG
(US11564920, Example 17)
Show SMILES COc1ncnc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590726
PNG
(US11564920, Example 10)
Show SMILES COc1cncc(OCC[C@H](C)N)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590752
PNG
(US11564920, Example 37)
Show SMILES COc1ccnc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590721
PNG
(US11564920, Example 5)
Show SMILES COc1cncc(OCC2(F)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590736
PNG
(US11564920, Example 20)
Show SMILES COc1cncc(OC[C@]2(F)CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590728
PNG
(US11564920, Example 12)
Show SMILES COc1cncc(OC[C@@H]2CNCCO2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590734
PNG
(US11564920, Example 18)
Show SMILES COc1cncc(OCC2CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50524300
PNG
(LY2606368 | Prexasertib | US11564920, Example Prex...)
Show SMILES COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
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TBA

Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590736
PNG
(US11564920, Example 20)
Show SMILES COc1cncc(OC[C@]2(F)CCNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590750
PNG
(US11564920, Example 35)
Show SMILES CN[C@@H]1CC[C@H](C1)Oc1cncc(OC)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590748
PNG
(US11564920, Example 33)
Show SMILES COc1cncc(O[C@H](C)C2CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590753
PNG
(US11564920, Example 38)
Show SMILES COc1nccc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590751
PNG
(US11564920, Example 36)
Show SMILES COc1cncc(O[C@H]2C[C@H](N)[C@H]3C[C@@H]23)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590741
PNG
(US11564920, Example 25)
Show SMILES COc1cncc(OCC2(C)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590729
PNG
(US11564920, Example 13)
Show SMILES COc1cncc(OC[C@H]2CNCCO2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590746
PNG
(US11564920, Example 31)
Show SMILES CNCCCOc1cncc(OC)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590747
PNG
(US11564920, Example 32)
Show SMILES COc1cncc(O[C@@H]2CC[C@@H](N)C2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590739
PNG
(US11564920, Example 23)
Show SMILES COc1ncnc(OCC2(CN)CC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590744
PNG
(US11564920, Example 28)
Show SMILES COc1cncc(OC[C@H](C)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590749
PNG
(US11564920, Example 34)
Show SMILES COc1cncc(O[C@H](C)C2(O)CNC2)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470582
PNG
(US10815241, Example 7 | US11369605, Example 7)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C(=C)C3)C1
Show InChI InChI=1S/C31H39FN6O3/c1-18(2)38(19(3)4)29(39)24-11-21(32)6-9-25(24)41-26-12-33-17-34-28(26)36-13-31(14-36)15-37(16-31)30(40)27-23-8-7-22(35-27)10-20(23)5/h6,9,11-12,17-19,22-23,27,35H,5,7-8,10,13-16H2,1-4H3/t22-,23+,27-/m0/s1
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470578
PNG
(US10815241, Example 3 | US11369605, Example 3)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@@H]3CC2CC2)C1
Show InChI InChI=1S/C34H45FN6O3/c1-20(2)41(21(3)4)32(42)26-13-25(35)8-10-28(26)44-29-14-36-19-37-31(29)39-15-34(16-39)17-40(18-34)33(43)30-23-7-9-27(38-30)24(12-23)11-22-5-6-22/h8,10,13-14,19-24,27,30,38H,5-7,9,11-12,15-18H2,1-4H3/t23-,24+,27+,30+/m1/s1
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470581
PNG
(5-Fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azab...)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C(=C)C2 |r,TLB:32:34:37.38:42.40,41:40:34.35:37.38|
Show InChI InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470585
PNG
(US10815241, Example 10 | US11369605, Example 10)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2[C@@H](F)C3)C1
Show InChI InChI=1S/C30H38F2N6O3/c1-17(2)38(18(3)4)28(39)22-9-19(31)5-8-24(22)41-25-11-33-16-34-27(25)36-12-30(13-36)14-37(15-30)29(40)26-21-7-6-20(35-26)10-23(21)32/h5,8-9,11,16-18,20-21,23,26,35H,6-7,10,12-15H2,1-4H3/t20-,21+,23-,26-/m0/s1
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590732
PNG
(US11564920, Example 16)
Show SMILES COc1ccnc(OCCCN)c1-c1cc(Nc2cnc(cn2)C(F)(F)F)n[nH]1
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TBA

Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM590743
PNG
(US11564920, Example 27)
Show SMILES COc1cncc(OC[C@@H](C)CN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 |r|
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Assay Description
IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20C50P8
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470580
PNG
(US10815241, Example 5 | US11369605, Example 5)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@H]3CC2CC2)C1
Show InChI InChI=1S/C34H45FN6O3/c1-20(2)41(21(3)4)32(42)26-13-25(35)8-10-28(26)44-29-14-36-19-37-31(29)39-15-34(16-39)17-40(18-34)33(43)30-23-7-9-27(38-30)24(12-23)11-22-5-6-22/h8,10,13-14,19-24,27,30,38H,5-7,9,11-12,15-18H2,1-4H3/t23-,24-,27+,30+/m1/s1
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM558847
PNG
(2-[(4-{7-[(1S,3S,4R,6S)-6-(Cyclopropylmethyl)-2-az...)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@@H]2CC1CC1 |r,TLB:32:34:40.41:37.38,THB:42:41:34.35:37.38|
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TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470584
PNG
(US10815241, Example 9 | US11369605, Example 9)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2CC3=C)C1
Show InChI InChI=1S/C31H39FN6O3/c1-18(2)38(19(3)4)29(39)23-11-22(32)7-9-25(23)41-26-12-33-17-34-28(26)36-13-31(14-36)15-37(16-31)30(40)27-21-6-8-24(35-27)20(5)10-21/h7,9,11-12,17-19,21,24,27,35H,5-6,8,10,13-16H2,1-4H3/t21-,24+,27+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM554135
PNG
(US11325921, Example 22)
Show SMILES [H][C@@]12C[C@H](F)[C@@]([H])(C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C#N |r,THB:10:8:7:2.3,4:3:8.9:7|
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TBA

Assay Description
Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64N9C
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470586
PNG
(US10815241, Example 11 | US11369605, Example 11)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)C2NC3CCC2CC3)C1 |(-9.34,-3.59,;-8,-4.36,;-6.67,-3.59,;-8,-5.9,;-9.34,-6.67,;-10.67,-5.9,;-9.34,-8.21,;-6.67,-6.67,;-5.33,-5.9,;-6.67,-8.21,;-8,-8.98,;-8,-10.52,;-9.34,-11.29,;-6.67,-11.29,;-5.33,-10.52,;-5.33,-8.98,;-4,-8.21,;-2.67,-8.98,;-2.67,-10.52,;-1.33,-11.29,;,-10.52,;,-8.98,;-1.33,-8.21,;-1.33,-6.67,;-.24,-5.58,;-1.33,-4.49,;-.24,-3.4,;-1.33,-2.31,;-2.42,-3.4,;-1.33,-.77,;-2.67,,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.08,.26,;1.08,1.28,;-2.42,-5.58,)|
Show InChI InChI=1S/C30H39FN6O3/c1-18(2)37(19(3)4)28(38)23-11-21(31)7-10-24(23)40-25-12-32-17-33-27(25)35-13-30(14-35)15-36(16-30)29(39)26-20-5-8-22(34-26)9-6-20/h7,10-12,17-20,22,26,34H,5-6,8-9,13-16H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470579
PNG
(US10815241, Example 4 | US11369605, Example 4)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@H]2CC1CC1
Show InChI InChI=1S/C36H49FN6O3/c1-22(2)43(23(3)4)34(44)28-17-27(37)8-10-30(28)46-31-18-38-21-39-33(31)42-19-36(20-42)11-13-41(14-12-36)35(45)32-25-7-9-29(40-32)26(16-25)15-24-5-6-24/h8,10,17-18,21-26,29,32,40H,5-7,9,11-16,19-20H2,1-4H3/t25-,26-,29+,32+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM470583
PNG
(US10815241, Example 8 | US11369605, Example 8)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1CC2=C
Show InChI InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)25-15-24(34)7-9-27(25)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-23-6-8-26(37-29)22(5)14-23/h7,9,15-16,19-21,23,26,29,37H,5-6,8,10-14,17-18H2,1-4H3/t23-,26+,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R5J
More data for this
Ligand-Target Pair
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