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Compile Data Set for Download or QSAR

Found 236 hits of ic50 for UniProtKB: Q8TF76   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113318
BindingDB Entry DOI: 10.7270/Q25Q5115
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50603975
PNG
(CHEMBL5201780)
Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)-c1ccc(F)cc1F
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50246769
PNG
(CHEMBL4064608)
Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)|
Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cells


J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
BindingDB Entry DOI: 10.7270/Q2T72KWX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50603974
PNG
(CHEMBL5201904)
Show SMILES COc1ccc(cn1)-c1cnc2sc(N[C@@H]3CC[C@H](N)CC3)nn12 |r,wU:15.15,18.19,(-7.26,4.65,;-5.72,4.65,;-4.95,3.32,;-5.72,1.98,;-4.96,.65,;-3.42,.65,;-2.64,1.99,;-3.42,3.32,;-2.65,-.68,;-3.1,-2.13,;-1.86,-3.05,;-.65,-2.17,;.9,-2.18,;1.42,-.69,;2.91,-.3,;4,-1.38,;3.6,-2.87,;4.69,-3.96,;6.17,-3.56,;7.26,-4.65,;6.57,-2.07,;5.48,-.99,;.2,.22,;-1.11,-.68,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350270
PNG
(US10208056, Compound 105)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCCCC1
Show InChI InChI=1S/C18H20ClN3O2/c1-2-22-15-11-6-9-21-10-12(11)24-18(7-4-3-5-8-18)13(15)14(19)16(22)17(20)23/h6,9-10H,2-5,7-8H2,1H3,(H2,20,23)
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n/an/a 8.82n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350269
PNG
(US10208056, Compound 104)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCOCC1
Show InChI InChI=1S/C17H18ClN3O3/c1-2-21-14-10-3-6-20-9-11(10)24-17(4-7-23-8-5-17)12(14)13(18)15(21)16(19)22/h3,6,9H,2,4-5,7-8H2,1H3,(H2,19,22)
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n/an/a 8.91n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350253
PNG
(US10208056, Compound 80)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c1-2-21-14(17(19)22)10-13-16(21)12-6-9-20-11-15(12)23-18(13)7-4-3-5-8-18/h6,9-11H,2-5,7-8H2,1H3,(H2,19,22)
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n/an/a 9.56n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350256
PNG
(US10208056, Compound 83)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
Show InChI InChI=1S/C17H19N3O2/c1-20-13(16(18)21)9-12-15(20)11-5-8-19-10-14(11)22-17(12)6-3-2-4-7-17/h5,8-10H,2-4,6-7H2,1H3,(H2,18,21)
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n/an/a 9.80n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of haspin (V473 to K798) (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of haspin (V473 to K798) (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of haspin (V473 to K798) (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of haspin (V473 to K798) (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50603992
PNG
(CHEMBL5179988)
Show SMILES CC(C)(N)CNc1nn2c(cnc2s1)-c1ccc(F)cc1F
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50466167
PNG
(CHEMBL4278808)
Show SMILES Oc1ccc(c(F)c1)-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C20H16FN3O/c21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20/h5-10,25H,1-4H2,(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of Haspin (unknown origin) after 3 hrs by ADP-Glo assay


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350255
PNG
(US10208056, Compound 82)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCOCC1)C(N)=O
Show InChI InChI=1S/C17H19N3O3/c1-2-20-13(16(18)21)9-12-15(20)11-3-6-19-10-14(11)23-17(12)4-7-22-8-5-17/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,18,21)
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n/an/a 12.8n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50542441
PNG
(CHEMBL4642838)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H10N2O3/c19-10-3-4-12-13(7-10)21-14(15(12)20)6-9-8-18-16-11(9)2-1-5-17-16/h1-8,19H,(H,17,18)/b14-6-
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n/an/a 14n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Haspin (470 to 798 residues) expressed in bacteria using Histone H3 and ARTKQTARKSTGGKAPRKQLA as substrate in presenc...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115468
BindingDB Entry DOI: 10.7270/Q28G8Q87
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350183
PNG
(US10208056, Compound 15)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
Show InChI InChI=1S/C14H13N3O2/c15-13(18)10-6-9-12(17-10)8-2-5-16-7-11(8)19-14(9)3-1-4-14/h2,5-7,17H,1,3-4H2,(H2,15,18)
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n/an/a 15.9n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350264
PNG
(US10208056, Compound 91)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCNCC1)C(N)=O
Show InChI InChI=1S/C17H20N4O2/c1-2-21-13(16(18)22)9-12-15(21)11-3-6-20-10-14(11)23-17(12)4-7-19-8-5-17/h3,6,9-10,19H,2,4-5,7-8H2,1H3,(H2,18,22)
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n/an/a 16.5n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350266
PNG
(US10208056, Compound 94)
Show SMILES CCn1c(C(N)=O)c(C2CC2)c2c1-c1ccncc1OC2(C)C
Show InChI InChI=1S/C18H21N3O2/c1-4-21-15-11-7-8-20-9-12(11)23-18(2,3)14(15)13(10-5-6-10)16(21)17(19)22/h7-10H,4-6H2,1-3H3,(H2,19,22)
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n/an/a 17.5n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350220
PNG
(US10208056, Compound 52)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF
Show InChI InChI=1S/C15H16FN3O2/c1-15(2)10-7-11(14(17)20)19(6-4-16)13(10)9-3-5-18-8-12(9)21-15/h3,5,7-8H,4,6H2,1-2H3,(H2,17,20)
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n/an/a 22.4n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350249
PNG
(US10208056, Compound 76)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCC2)n1CCF
Show InChI InChI=1S/C16H16FN3O2/c17-5-7-20-12(15(18)21)8-11-14(20)10-2-6-19-9-13(10)22-16(11)3-1-4-16/h2,6,8-9H,1,3-5,7H2,(H2,18,21)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350265
PNG
(US10208056, Compound 92)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCOCC2)n1CCF
Show InChI InChI=1S/C17H18FN3O3/c18-4-6-21-13(16(19)22)9-12-15(21)11-1-5-20-10-14(11)24-17(12)2-7-23-8-3-17/h1,5,9-10H,2-4,6-8H2,(H2,19,22)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350239
PNG
(US10208056, Compound 66)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
Show InChI InChI=1S/C16H17N3O2/c1-2-19-12(15(17)20)8-11-14(19)10-4-7-18-9-13(10)21-16(11)5-3-6-16/h4,7-9H,2-3,5-6H2,1H3,(H2,17,20)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350196
PNG
(US10208056, Compound 28)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(Cl)c12
Show InChI InChI=1S/C13H12ClN3O2/c1-13(2)8-9(14)11(12(15)18)17-10(8)6-3-4-16-5-7(6)19-13/h3-5,17H,1-2H3,(H2,15,18)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350240
PNG
(US10208056, Compound 67)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
Show InChI InChI=1S/C15H15N3O2/c1-18-11(14(16)19)7-10-13(18)9-3-6-17-8-12(9)20-15(10)4-2-5-15/h3,6-8H,2,4-5H2,1H3,(H2,16,19)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350202
PNG
(US10208056, Compound 34)
Show SMILES CC1(C)Oc2cncc(Cl)c2-c2[nH]c(cc12)C(N)=O
Show InChI InChI=1S/C13H12ClN3O2/c1-13(2)6-3-8(12(15)18)17-11(6)10-7(14)4-16-5-9(10)19-13/h3-5,17H,1-2H3,(H2,15,18)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50603978
PNG
(CHEMBL5187817)
Show SMILES COc1ccc(-c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA

Assay Description
Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of haspin


J Med Chem 55: 8199-208 (2012)


Article DOI: 10.1021/jm3009234
BindingDB Entry DOI: 10.7270/Q2930V9T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350259
PNG
(US10208056, Compound 86)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c12
Show InChI InChI=1S/C16H17N3O2/c1-16(2)12-11(8-3-4-8)14(15(17)20)19-13(12)9-5-6-18-7-10(9)21-16/h5-8,19H,3-4H2,1-2H3,(H2,17,20)
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n/an/a 34.5n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
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German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Haspin expressed in Baculovirus expression system by Adapta assay


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350211
PNG
(US10208056, Compound 43)
Show SMILES CCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
Show InChI InChI=1S/C15H17N3O2/c1-4-18-11(14(16)19)7-10-13(18)9-5-6-17-8-12(9)20-15(10,2)3/h5-8H,4H2,1-3H3,(H2,16,19)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350169
PNG
(US10208056, Compound 1)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(cc12)C(N)=O
Show InChI InChI=1S/C13H13N3O2/c1-13(2)8-5-9(12(14)17)16-11(8)7-3-4-15-6-10(7)18-13/h3-6,16H,1-2H3,(H2,14,17)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350252
PNG
(US10208056, Compound 79)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCN(CC(F)(F)F)CC1)C(N)=O
Show InChI InChI=1S/C19H21F3N4O2/c1-2-26-14(17(23)27)9-13-16(26)12-3-6-24-10-15(12)28-18(13)4-7-25(8-5-18)11-19(20,21)22/h3,6,9-10H,2,4-5,7-8,11H2,1H3,(H2,23,27)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350257
PNG
(US10208056, Compound 84)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCCCC2)n1CCF
Show InChI InChI=1S/C18H20FN3O2/c19-7-9-22-14(17(20)23)10-13-16(22)12-4-8-21-11-15(12)24-18(13)5-2-1-3-6-18/h4,8,10-11H,1-3,5-7,9H2,(H2,20,23)
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FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50603989
PNG
(CHEMBL5192443)
Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)C1=CCCCC1 |t:19|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01995
BindingDB Entry DOI: 10.7270/Q2H70KXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
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n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350224
PNG
(US10208056, Compound 54)
Show SMILES CC(C)C1(C)Oc2cnccc2-c2[nH]c(cc12)C(N)=O
PDB
MMDB

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US Patent
n/an/a 52.9n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350180
PNG
(US10208056, Compound 12)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCNCC1
Show InChI InChI=1S/C15H16N4O2/c16-14(20)11-7-10-13(19-11)9-1-4-18-8-12(9)21-15(10)2-5-17-6-3-15/h1,4,7-8,17,19H,2-3,5-6H2,(H2,16,20)
PDB
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n/an/a 53.3n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350181
PNG
(US10208056, Compound 13)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCCCC1
Show InChI InChI=1S/C16H17N3O2/c17-15(20)12-8-11-14(19-12)10-4-7-18-9-13(10)21-16(11)5-2-1-3-6-16/h4,7-9,19H,1-3,5-6H2,(H2,17,20)
PDB
MMDB

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n/an/a 53.6n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
PDB
MMDB

KEGG

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n/an/a 56n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605466
PNG
(CHEMBL5194011)
Show SMILES CCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 65n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605468
PNG
(CHEMBL5186471)
Show SMILES CCCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
PubMed
n/an/a 69n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM350199
PNG
(US10208056, Compound 31)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(c12)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-19(2)15-14(11-6-4-3-5-7-11)17(18(20)23)22-16(15)12-8-9-21-10-13(12)24-19/h3-10,22H,1-2H3,(H2,20,23)
PDB
MMDB

KEGG

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US Patent
n/an/a 73.2n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent


Assay Description
The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase re...


US Patent US10208056 (2019)


BindingDB Entry DOI: 10.7270/Q2GB266B
More data for this
Ligand-Target Pair
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