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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'kaliszczak' and Initial = 'm'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326519
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNCC#C
Show InChI InChI=1S/C25H21ClFN5O2/c1-3-9-29-10-5-6-24(33)32-22-12-18-21(13-23(22)34-4-2)30-15-16(14-28)25(18)31-17-7-8-20(27)19(26)11-17/h1,5-8,11-13,15,29H,4,9-10H2,2H3,(H,30,31)(H,32,33)/b6-5+
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n/an/a 0.0300n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/a 0.240n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326514
PNG
((E)-4-(Methylamino)-but-2-enoic acid [4-(3-chloro-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNC
Show InChI InChI=1S/C23H21ClFN5O2/c1-3-32-21-11-19-16(10-20(21)30-22(31)5-4-8-27-2)23(14(12-26)13-28-19)29-15-6-7-18(25)17(24)9-15/h4-7,9-11,13,27H,3,8H2,1-2H3,(H,28,29)(H,30,31)/b5-4+
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n/an/a 0.25n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326513
PNG
((E)-4-Methylamino-but-2-enoicacid[4-(3-chloro-4-fl...)
Show SMILES CNC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OCCF)C#N
Show InChI InChI=1S/C23H20ClF2N5O2/c1-28-7-2-3-22(32)31-20-10-16-19(11-21(20)33-8-6-25)29-13-14(12-27)23(16)30-15-4-5-18(26)17(24)9-15/h2-5,9-11,13,28H,6-8H2,1H3,(H,29,30)(H,31,32)/b3-2+
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n/an/a 0.290n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326517
PNG
((E)-4-[(4-Fluorobenzyl)methylamino]-but-2-enoic ac...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-3-40-28-15-26-23(30(20(16-34)17-35-26)36-22-10-11-25(33)24(31)13-22)14-27(28)37-29(39)5-4-12-38(2)18-19-6-8-21(32)9-7-19/h4-11,13-15,17H,3,12,18H2,1-2H3,(H,35,36)(H,37,39)/b5-4+
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n/an/a 0.570n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326518
PNG
((E)-4-[(2-Fluoroethyl)methylamino]-but-2-enoic aci...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCF
Show InChI InChI=1S/C25H24ClF2N5O2/c1-3-35-23-13-21-18(12-22(23)32-24(34)5-4-9-33(2)10-8-27)25(16(14-29)15-30-21)31-17-6-7-20(28)19(26)11-17/h4-7,11-13,15H,3,8-10H2,1-2H3,(H,30,31)(H,32,34)/b5-4+
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n/an/a 0.800n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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n/an/a 0.810n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326516
PNG
((E)-4-{[1-(2-Fluoroethyl)-1H-[1,2,3]triazol-4-ylme...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNCc1cn(CCF)nn1
Show InChI InChI=1S/C27H25ClF2N8O2/c1-2-40-25-12-23-20(27(17(13-31)14-33-23)34-18-5-6-22(30)21(28)10-18)11-24(25)35-26(39)4-3-8-32-15-19-16-38(9-7-29)37-36-19/h3-6,10-12,14,16,32H,2,7-9,15H2,1H3,(H,33,34)(H,35,39)/b4-3+
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n/an/a 1.81n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326515
PNG
((E)-N-[4-(3-Chloro-4-fluorophenylamino)-3-cyano-7-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\c1cn(CCF)nn1
Show InChI InChI=1S/C25H20ClF2N7O2/c1-2-37-23-11-21-18(10-22(23)32-24(36)6-4-17-14-35(8-7-27)34-33-17)25(15(12-29)13-30-21)31-16-3-5-20(28)19(26)9-16/h3-6,9-11,13-14H,2,7-8H2,1H3,(H,30,31)(H,32,36)/b6-4+
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n/an/a 4.05n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326514
PNG
((E)-4-(Methylamino)-but-2-enoic acid [4-(3-chloro-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNC
Show InChI InChI=1S/C23H21ClFN5O2/c1-3-32-21-11-19-16(10-20(21)30-22(31)5-4-8-27-2)23(14(12-26)13-28-19)29-15-6-7-18(25)17(24)9-15/h4-7,9-11,13,27H,3,8H2,1-2H3,(H,28,29)(H,30,31)/b5-4+
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n/an/a 5.35n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/a 8.02n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326513
PNG
((E)-4-Methylamino-but-2-enoicacid[4-(3-chloro-4-fl...)
Show SMILES CNC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OCCF)C#N
Show InChI InChI=1S/C23H20ClF2N5O2/c1-28-7-2-3-22(32)31-20-10-16-19(11-21(20)33-8-6-25)29-13-14(12-27)23(16)30-15-4-5-18(26)17(24)9-15/h2-5,9-11,13,28H,6-8H2,1H3,(H,29,30)(H,31,32)/b3-2+
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n/an/a 8.12n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326517
PNG
((E)-4-[(4-Fluorobenzyl)methylamino]-but-2-enoic ac...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-3-40-28-15-26-23(30(20(16-34)17-35-26)36-22-10-11-25(33)24(31)13-22)14-27(28)37-29(39)5-4-12-38(2)18-19-6-8-21(32)9-7-19/h4-11,13-15,17H,3,12,18H2,1-2H3,(H,35,36)(H,37,39)/b5-4+
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n/an/a 16.5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326516
PNG
((E)-4-{[1-(2-Fluoroethyl)-1H-[1,2,3]triazol-4-ylme...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNCc1cn(CCF)nn1
Show InChI InChI=1S/C27H25ClF2N8O2/c1-2-40-25-12-23-20(27(17(13-31)14-33-23)34-18-5-6-22(30)21(28)10-18)11-24(25)35-26(39)4-3-8-32-15-19-16-38(9-7-29)37-36-19/h3-6,10-12,14,16,32H,2,7-9,15H2,1H3,(H,33,34)(H,35,39)/b4-3+
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n/an/a 22.0n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
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)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326518
PNG
((E)-4-[(2-Fluoroethyl)methylamino]-but-2-enoic aci...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCF
Show InChI InChI=1S/C25H24ClF2N5O2/c1-3-35-23-13-21-18(12-22(23)32-24(34)5-4-9-33(2)10-8-27)25(16(14-29)15-30-21)31-17-6-7-20(28)19(26)11-17/h4-7,11-13,15H,3,8-10H2,1-2H3,(H,30,31)(H,32,34)/b5-4+
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n/an/a 23.0n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
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
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326519
PNG
((E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CNCC#C
Show InChI InChI=1S/C25H21ClFN5O2/c1-3-9-29-10-5-6-24(33)32-22-12-18-21(13-23(22)34-4-2)30-15-16(14-28)25(18)31-17-7-8-20(27)19(26)11-17/h1,5-8,11-13,15,29H,4,9-10H2,2H3,(H,30,31)(H,32,33)/b6-5+
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n/an/a 60.2n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
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
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|
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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
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|
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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
Phospholipase D1


(Homo sapiens (Human))
BDBM50586322
PNG
(CHEMBL5092706)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccncc21)NC(=O)c1ccc(F)cc1 |r|
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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
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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
Phospholipase D1


(Homo sapiens (Human))
BDBM50586325
PNG
(CHEMBL5076666)
Show SMILES CN(CCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)C(C)=O
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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|
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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
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|
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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
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|
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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 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))
BDBM50586323
PNG
(CHEMBL5080277)
Show SMILES C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cccnc21)NC(=O)c1ccc(F)cc1 |r|
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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))
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 230n/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))
BDBM50586318
PNG
(CHEMBL5080618)
Show SMILES C[C@@H](CN1CCC2(CC1)NC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 280n/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))
BDBM50586329
PNG
(CHEMBL5074314)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@@H](C)c2ccccc2C1 |r|
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n/an/a 320n/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))
BDBM50586332
PNG
(CHEMBL5080871)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN[C@H](C)C1 |r|
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n/an/a 320n/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))
BDBM50586333
PNG
(CHEMBL5081973)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCNC(C)(C)C1 |r|
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n/an/a 360n/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))
BDBM50586330
PNG
(CHEMBL5093394)
Show SMILES C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCOCC1 |r|
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n/an/a 380n/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))
BDBM50586317
PNG
(CHEMBL5090919)
Show SMILES C[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 490n/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))
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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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))
BDBM50586316
PNG
(CHEMBL5085765)
Show SMILES C[C@@H](CN1CCC(CC1)c1n[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 |r|
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n/an/a 970n/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))
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 1.00E+3n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326515
PNG
((E)-N-[4-(3-Chloro-4-fluorophenylamino)-3-cyano-7-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\c1cn(CCF)nn1
Show InChI InChI=1S/C25H20ClF2N7O2/c1-2-37-23-11-21-18(10-22(23)32-24(36)6-4-17-14-35(8-7-27)34-33-17)25(15(12-29)13-30-21)31-16-3-5-20(28)19(26)9-16/h3-6,9-11,13-14H,2,7-8H2,1H3,(H,30,31)(H,32,36)/b6-4+
PDB
MMDB

KEGG

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B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem 18: 6634-45 (2010)


Article DOI: 10.1016/j.bmc.2010.08.004
BindingDB Entry DOI: 10.7270/Q25H7GG2
More data for this
Ligand-Target Pair
Phospholipase D2


(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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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UniChem
Article
PubMed
n/an/a 1.10E+3n/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))
BDBM50586312
PNG
(CHEMBL5094742)
Show SMILES C[C@@H](CN1CCC(CC1)N1C(=O)Cc2ccccc12)NC(=O)c1ccc(F)cc1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/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
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