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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'may-dracka' and Initial = 'tl'   
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
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
PDB
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HGK using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548192
PNG
(CHEMBL4749141)
Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548194
PNG
(CHEMBL4762312)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1c(Cl)ccc(F)c1Cl
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KHS using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay relative to control


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 8.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HPK1 using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
PDB
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GCK using MBP as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548196
PNG
(CHEMBL4753188)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(nc12)-c1cccc(F)c1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548195
PNG
(CHEMBL4782885)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1cccc(F)c1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586324
PNG
(CHEMBL5085284)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)NC[C@H]2c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 22n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510309
PNG
(CHEMBL4568440)
Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510309
PNG
(CHEMBL4568440)
Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548222
PNG
(CHEMBL4790577)
Show SMILES Nc1ncc(cc1NCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548211
PNG
(CHEMBL4788727)
Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnn(c1)C1CCNCC1
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586314
PNG
(CHEMBL5078848)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 33n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548193
PNG
(CHEMBL4785602)
Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnc(s1)C1CCNCC1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510315
PNG
(CHEMBL518323)
Show SMILES Nc1ncc(cc1OCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26)
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586336
PNG
(CHEMBL5092677)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@H](C)N[C@H](C)C1 |r|
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n/an/a 40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586327
PNG
(CHEMBL5078394)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)n1ccccc1=O |r|
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n/an/a 43n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586337
PNG
(CHEMBL5085809)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@@H](C)N[C@H](C)C1 |r|
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n/an/a 44n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM154517
PNG
(ML299 (5))
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50586324
PNG
(CHEMBL5085284)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)NC[C@H]2c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 64n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD2 (unknown origin) expressed in human HEK cells by immunoprecipitation


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586320
PNG
(CHEMBL5092708)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 66n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM154517
PNG
(ML299 (5))
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD2 (unknown origin) expressed in human HEK cells by immunoprecipitation


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase D1


(Homo sapiens (Human))
BDBM50586334
PNG
(CHEMBL5088048)
Show SMILES CC[C@H]1CN(CCN1)C(=O)[C@H](C)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
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n/an/a 68n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586321
PNG
(CHEMBL5083605)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cc(F)ccc21)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 71n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548215
PNG
(CHEMBL4757394)
Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586331
PNG
(CHEMBL5086717)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN[C@@H](C)C1 |r|
PDB

KEGG

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UniChem
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n/an/a 76n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548216
PNG
(CHEMBL4790293)
Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548197
PNG
(CHEMBL4761177)
Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnc(s1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548212
PNG
(CHEMBL4742776)
Show SMILES Nc1ncc(cc1OCc1ccnnc1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548228
PNG
(CHEMBL4755070)
Show SMILES Nc1ncc(cc1C#Cc1ccccc1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586329
PNG
(CHEMBL5074314)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@@H](C)c2ccccc2C1 |r|
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548200
PNG
(CHEMBL4757177)
Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586322
PNG
(CHEMBL5092706)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccncc21)NC(=O)c1ccc(F)cc1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
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n/an/a 110n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586326
PNG
(CHEMBL5075520)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CCn2ccccc2=O)CC1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548225
PNG
(CHEMBL4782953)
Show SMILES Nc1ncc(cc1COc1ccccc1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586325
PNG
(CHEMBL5076666)
Show SMILES CN(CCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)C(C)=O
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
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n/an/a 130n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586335
PNG
(CHEMBL5080858)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCNC[C@H]1C |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548229
PNG
(CHEMBL4744805)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(cc12)-c1cccc(F)c1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586328
PNG
(CHEMBL5086297)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCC(F)(F)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 170n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548218
PNG
(CHEMBL4778070)
Show SMILES Nc1ncc(cc1OCc1ccccc1Cl)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548202
PNG
(CHEMBL4751159)
Show SMILES Nc1ncc(cc1OCc1ccccc1C(F)(F)F)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548223
PNG
(CHEMBL4780336)
Show SMILES Nc1ncc(cc1OCc1ccccc1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548201
PNG
(CHEMBL4757014)
Show SMILES COc1ccccc1COc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 197n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548227
PNG
(CHEMBL4782872)
Show SMILES Nc1ncc(cc1C(=O)Nc1ccccc1)-c1cnn(c1)C1CCNCC1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Phospholipase D1


(Homo sapiens (Human))
BDBM50586323
PNG
(CHEMBL5080277)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cccnc21)NC(=O)c1ccc(F)cc1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
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n/an/a 200n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
Phospholipase D2


(Homo sapiens (Human))
BDBM50586336
PNG
(CHEMBL5092677)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@H](C)N[C@H](C)C1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLD2 (unknown origin) expressed in human HEK cells by immunoprecipitation


Bioorg Med Chem Lett 14: 5877-80 (2004)


Article DOI: 10.1021/acsmedchemlett.1c00682
BindingDB Entry DOI: 10.7270/Q27H1PGW
More data for this
Ligand-Target Pair
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