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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'yu' and Initial = 'ec'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016904
PNG
(CHEMBL3273012)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N6O7/c1-15(27-18(4)32)21(33)28-16(2)24(36)31-13-9-12-20(31)23(35)29-30(5)25(37)38-17(3)22(34)26-14-19-10-7-6-8-11-19/h6-8,10-11,15-17,20H,9,12-14H2,1-5H3,(H,26,34)(H,27,32)(H,28,33)(H,29,35)/t15-,16-,17-,20-/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016905
PNG
(CHEMBL3273010)
Show SMILES CNC(=O)[C@H](C)OC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C19H32N6O7/c1-10(21-13(4)26)15(27)22-11(2)18(30)25-9-7-8-14(25)17(29)23-24(6)19(31)32-12(3)16(28)20-5/h10-12,14H,7-9H2,1-6H3,(H,20,28)(H,21,26)(H,22,27)(H,23,29)/t10-,11-,12-,14-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016903
PNG
(CHEMBL3273013)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NN |r|
Show InChI InChI=1S/C18H31N7O7/c1-9(20-12(4)26)14(27)21-10(2)17(30)25-8-6-7-13(25)16(29)23-24(5)18(31)32-11(3)15(28)22-19/h9-11,13H,6-8,19H2,1-5H3,(H,20,26)(H,21,27)(H,22,28)(H,23,29)/t9-,10-,11-,13-/m0/s1
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016906
PNG
(CHEMBL3273009)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)OC(C)C(N)=O |r|
Show InChI InChI=1S/C20H32N6O7/c1-11(22-17(29)14-7-5-9-25(14)13(3)27)19(31)26-10-6-8-15(26)18(30)23-24(4)20(32)33-12(2)16(21)28/h11-12,14-15H,5-10H2,1-4H3,(H2,21,28)(H,22,29)(H,23,30)/t11-,12?,14-,15-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016929
PNG
(CHEMBL3273011)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H34N6O7/c1-14(25-17(4)31)20(32)26-15(2)23(35)30-13-9-12-19(30)22(34)28-29(5)24(36)37-16(3)21(33)27-18-10-7-6-8-11-18/h6-8,10-11,14-16,19H,9,12-13H2,1-5H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t14-,15-,16-,19-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016930
PNG
(CHEMBL3273008)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C18H30N6O7/c1-9(20-12(4)25)15(27)21-10(2)17(29)24-8-6-7-13(24)16(28)22-23(5)18(30)31-11(3)14(19)26/h9-11,13H,6-8H2,1-5H3,(H2,19,26)(H,20,25)(H,21,27)(H,22,28)/t9-,10-,11-,13-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559633
PNG
(CHEMBL4797075)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC2CCC(C1)N2C
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559634
PNG
(CHEMBL4763655)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC[C@@H](C1)N(C)C |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559649
PNG
(CHEMBL4778477)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cc(Cl)cc(n1)N1CCN(C)CC1
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559635
PNG
(CHEMBL4794486)
Show SMILES [H][C@]12CN(c3cccc(n3)-n3ncc4cnc(cc34)-c3c(F)cccc3OC)[C@]([H])(CN1C)C2 |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559632
PNG
(CHEMBL4795146)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cc1C#N)-c1cccc(n1)N1CCN(C)CC1 |(19.09,-7.98,;19.08,-9.52,;17.75,-10.28,;16.42,-9.51,;15.08,-10.28,;15.08,-11.84,;16.42,-12.59,;16.43,-14.13,;17.74,-11.82,;19.07,-12.59,;20.4,-11.82,;21.74,-12.59,;23.2,-12.1,;24.11,-13.34,;23.22,-14.6,;21.75,-14.13,;20.41,-14.91,;19.07,-14.14,;17.74,-14.91,;16.41,-15.67,;23.67,-10.64,;22.63,-9.51,;23.1,-8.05,;24.61,-7.71,;25.64,-8.85,;25.18,-10.32,;27.15,-8.52,;28.18,-9.67,;29.68,-9.35,;30.15,-7.89,;31.66,-7.56,;29.12,-6.74,;27.61,-7.07,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559636
PNG
(CHEMBL4760447)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCN(C)CC1
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559650
PNG
(CHEMBL4778314)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559651
PNG
(CHEMBL4789558)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccnc(n1)N1CCN(C)CC1
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n/an/a 6.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559668
PNG
(CHEMBL4745491)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn2CCCc12
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n/an/a 9.10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559638
PNG
(CHEMBL4782526)
Show SMILES CNC(=O)N1CCN(CC1)c1cccc(n1)-n1ncc2cnc(cc12)-c1c(F)cccc1OC
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559643
PNG
(CHEMBL4783731)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC2(C1)CCCNC2
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559667
PNG
(CHEMBL4746358)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1n[nH]c2cnc(cc12)-c1cnn2CCCc12
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559640
PNG
(CHEMBL4739893)
Show SMILES CNC1CCN(CC1)c1cccc(n1)-n1ncc2cnc(cc12)-c1c(F)cccc1OC
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559631
PNG
(CHEMBL4754671)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ncc2cc(C#N)c(cc12)-c1c(C)cccc1F |(16.04,-4.16,;15.57,-5.62,;16.6,-6.77,;16.13,-8.23,;14.62,-8.55,;13.59,-7.42,;14.06,-5.95,;14.15,-10.01,;15.19,-11.15,;14.72,-12.62,;13.22,-12.94,;12.18,-11.81,;12.64,-10.35,;12.75,-14.41,;13.66,-15.65,;12.76,-16.9,;11.29,-16.43,;9.95,-17.21,;8.62,-16.44,;7.28,-17.21,;5.95,-17.98,;8.62,-14.9,;9.95,-14.13,;11.28,-14.89,;7.29,-14.13,;7.29,-12.59,;8.63,-11.82,;5.96,-11.82,;4.63,-12.59,;4.63,-14.14,;5.96,-14.9,;5.97,-16.44,)|
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559653
PNG
(CHEMBL4785237)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cn1)N1CCN(C)CC1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559639
PNG
(CHEMBL4755396)
Show SMILES COC(=O)N1CCN(CC1)c1cccc(n1)-n1ncc2cnc(cc12)-c1c(F)cccc1OC
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559647
PNG
(CHEMBL4743506)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC(N)C1
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559646
PNG
(CHEMBL4745494)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCOCC1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559641
PNG
(CHEMBL4798451)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCCC1
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TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559652
PNG
(CHEMBL4776921)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccnc(c1)N1CCN(C)CC1
PDB

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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559659
PNG
(CHEMBL4779011)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
PDB

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n/an/a 89n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559655
PNG
(CHEMBL4796740)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCOCC1
PDB

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n/an/a 101n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559648
PNG
(CHEMBL4789586)
Show SMILES COc1cccc(n1)-n1ncc2cnc(cc12)-c1c(F)cccc1OC
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n/an/a 103n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559644
PNG
(CHEMBL4763505)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCC1
PDB

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n/an/a 109n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559665
PNG
(CHEMBL4756863)
Show SMILES COc1ccncc1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
PDB

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n/an/a 120n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559661
PNG
(CHEMBL4748687)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1c(C)cccc1F
PDB

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n/an/a 121n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559660
PNG
(CHEMBL4786165)
Show SMILES CNC1CCc2c1ccc(F)c2-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
PDB

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n/an/a 193n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559642
PNG
(CHEMBL4747110)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCC1=O
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n/an/a 213n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559662
PNG
(CHEMBL4798403)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1c(C)cccc1C
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n/an/a 284n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559654
PNG
(CHEMBL4743780)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(c1)N1CCN(C)CC1
PDB

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n/an/a 408n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559663
PNG
(CHEMBL4754265)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1ccccc1C
PDB

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n/an/a 410n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559645
PNG
(CHEMBL4784231)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(N)n1
PDB

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n/an/a 518n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559658
PNG
(CHEMBL4783606)
Show SMILES CCOc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
PDB

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n/an/a 557n/an/an/an/an/an/a


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Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316625
PNG
(4-benzhydrylnaphthalene-1,2-diol | CHEMBL1094496)
Show SMILES Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C23H18O2/c24-21-15-20(18-13-7-8-14-19(18)23(21)25)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22,24-25H
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n/an/a 600n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence p...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316625
PNG
(4-benzhydrylnaphthalene-1,2-diol | CHEMBL1094496)
Show SMILES Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C23H18O2/c24-21-15-20(18-13-7-8-14-19(18)23(21)25)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,22,24-25H
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n/an/a 600n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polariza...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559664
PNG
(CHEMBL4788183)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1ccccc1
PDB

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n/an/a 826n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316629
PNG
(1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphtha...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc2cc(OC)c(OC)c(OC)c2c1
Show InChI InChI=1S/C22H24O6/c1-23-17-11-15(12-18(24-2)21(17)27-5)13-7-8-14-10-19(25-3)22(28-6)20(26-4)16(14)9-13/h7-12H,1-6H3
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n/an/a 900n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence p...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316629
PNG
(1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphtha...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc2cc(OC)c(OC)c(OC)c2c1
Show InChI InChI=1S/C22H24O6/c1-23-17-11-15(12-18(24-2)21(17)27-5)13-7-8-14-10-19(25-3)22(28-6)20(26-4)16(14)9-13/h7-12H,1-6H3
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n/an/a 900n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polariza...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM34138
PNG
(4,5-dibenzylbenzene-1,2-diol, 9)
Show SMILES Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
Show InChI InChI=1S/C20H18O2/c21-19-13-17(11-15-7-3-1-4-8-15)18(14-20(19)22)12-16-9-5-2-6-10-16/h1-10,13-14,21-22H,11-12H2
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Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polariza...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM34138
PNG
(4,5-dibenzylbenzene-1,2-diol, 9)
Show SMILES Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
Show InChI InChI=1S/C20H18O2/c21-19-13-17(11-15-7-3-1-4-8-15)18(14-20(19)22)12-16-9-5-2-6-10-16/h1-10,13-14,21-22H,11-12H2
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n/an/a 900n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence p...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559657
PNG
(CHEMBL4759303)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccccc1
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50559656
PNG
(CHEMBL4800561)
Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cnn(C)c1
PDB

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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00672
BindingDB Entry DOI: 10.7270/Q28G8QD1
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316627
PNG
(4,4'-(1,2-phenylenebis(azan-1-yl-1-ylidene))bis(me...)
Show SMILES Oc1ccc(\C=N\c2ccccc2\N=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H16N2O4/c23-17-7-5-13(9-19(17)25)11-21-15-3-1-2-4-16(15)22-12-14-6-8-18(24)20(26)10-14/h1-12,23-26H/b21-11+,22-12+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence p...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316627
PNG
(4,4'-(1,2-phenylenebis(azan-1-yl-1-ylidene))bis(me...)
Show SMILES Oc1ccc(\C=N\c2ccccc2\N=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H16N2O4/c23-17-7-5-13(9-19(17)25)11-21-15-3-1-2-4-16(15)22-12-14-6-8-18(24)20(26)10-14/h1-12,23-26H/b21-11+,22-12+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polariza...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
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Ligand-Target Pair
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