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Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with all data for entry = 50043239   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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3.40n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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4.20n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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11n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50426474
PNG
(CHEMBL1980391)
Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F
Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
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11n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437839
PNG
(CHEMBL2407911)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9H,(H,17,19)(H,18,20)/b13-7+
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22n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli in the presence of ATP


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437870
PNG
(CHEMBL2407901)
Show SMILES COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
Show InChI InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
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25n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437869
PNG
(CHEMBL2407902)
Show SMILES CN1CCN(Cc2cc3CN4CCC[C@H]4C(=O)NCc4cccc(c4)-c4ccnc(Nc(c2)c3)n4)CC1
Show InChI InChI=1S/C29H35N7O/c1-34-10-12-35(13-11-34)19-22-14-23-17-25(16-22)32-29-30-8-7-26(33-29)24-5-2-4-21(15-24)18-31-28(37)27-6-3-9-36(27)20-23/h2,4-5,7-8,14-17,27H,3,6,9-13,18-20H2,1H3,(H,31,37)(H,30,32,33)/t27-/m0/s1
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100n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437843
PNG
(CHEMBL2407898)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C28H26N4O2/c1-32(2)17-19-6-4-18(5-7-19)9-12-26-22-11-8-20(15-27(22)31-30-26)14-24-23-16-21(34-3)10-13-25(23)29-28(24)33/h4-16H,17H2,1-3H3,(H,29,33)(H,30,31)/b12-9+,24-14+
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n/an/a 0.320n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437846
PNG
(CHEMBL2407894)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C24H18N4O2/c1-30-17-4-7-21-19(14-17)20(24(29)26-21)12-16-2-5-18-22(27-28-23(18)13-16)6-3-15-8-10-25-11-9-15/h2-14H,1H3,(H,26,29)(H,27,28)/b6-3+,20-12+
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n/an/a 0.450n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437849
PNG
(CHEMBL2407748)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C24H18N4O2/c1-30-17-6-9-21-19(13-17)20(24(29)26-21)11-16-4-7-18-22(27-28-23(18)12-16)8-5-15-3-2-10-25-14-15/h2-14H,1H3,(H,26,29)(H,27,28)/b8-5+,20-11+
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n/an/a 0.480n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 0.610n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437840
PNG
(CHEMBL2407744)
Show SMILES OC(=O)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
Show InChI InChI=1S/C25H17N3O3/c29-24-20(18-3-1-2-4-21(18)26-24)13-16-7-11-19-22(27-28-23(19)14-16)12-8-15-5-9-17(10-6-15)25(30)31/h1-14H,(H,26,29)(H,27,28)(H,30,31)/b12-8+,20-13+
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n/an/a 0.820n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437845
PNG
(CHEMBL2407895)
Show SMILES Oc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C23H16N4O2/c28-16-3-6-20-18(13-16)19(23(29)25-20)11-15-1-4-17-21(26-27-22(17)12-15)5-2-14-7-9-24-10-8-14/h1-13,28H,(H,25,29)(H,26,27)/b5-2+,19-11+
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n/an/a 0.900n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437842
PNG
(CHEMBL2407899)
Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1
Show InChI InChI=1S/C28H26N6O/c1-33-12-14-34(15-13-33)27-11-8-19(18-29-27)7-10-25-22-9-6-20(17-26(22)32-31-25)16-23-21-4-2-3-5-24(21)30-28(23)35/h2-11,16-18H,12-15H2,1H3,(H,30,35)(H,31,32)/b10-7+,23-16+
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437847
PNG
(CHEMBL2407893)
Show SMILES Cc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C24H18N4O/c1-15-2-6-21-19(12-15)20(24(29)26-21)13-17-3-5-18-22(27-28-23(18)14-17)7-4-16-8-10-25-11-9-16/h2-14H,1H3,(H,26,29)(H,27,28)/b7-4+,20-13+
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437850
PNG
(CHEMBL2407747)
Show SMILES CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C25H20N4O/c1-2-16-6-9-22-20(12-16)21(25(30)27-22)13-18-5-8-19-23(28-29-24(19)14-18)10-7-17-4-3-11-26-15-17/h3-15H,2H2,1H3,(H,27,30)(H,28,29)/b10-7+,21-13+
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n/an/a 1.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437837
PNG
(CHEMBL2407897)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
Show InChI InChI=1S/C27H24N4O/c1-31(2)17-19-9-7-18(8-10-19)12-14-25-22-13-11-20(16-26(22)30-29-25)15-23-21-5-3-4-6-24(21)28-27(23)32/h3-16H,17H2,1-2H3,(H,28,32)(H,29,30)/b14-12+,23-15+
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n/an/a 2n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437851
PNG
(CHEMBL2407746)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1
Show InChI InChI=1S/C23H16N4O/c28-23-19(17-5-1-2-6-20(17)25-23)12-16-7-9-18-21(26-27-22(18)13-16)10-8-15-4-3-11-24-14-15/h1-14H,(H,25,28)(H,26,27)/b10-8+,19-12+
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n/an/a 2n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437848
PNG
(CHEMBL2407750)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C23H15ClN4O/c24-16-3-6-20-18(13-16)19(23(29)26-20)11-15-1-4-17-21(27-28-22(17)12-15)5-2-14-7-9-25-10-8-14/h1-13H,(H,26,29)(H,27,28)/b5-2+,19-11+
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n/an/a 2.30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437838
PNG
(CHEMBL2407749)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+
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n/an/a 5.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437852
PNG
(CHEMBL2407745)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C23H16N4O/c28-23-19(17-6-1-2-7-20(17)25-23)13-15-8-10-18-21(26-27-22(18)14-15)11-9-16-5-3-4-12-24-16/h1-14H,(H,25,28)(H,26,27)/b11-9+,19-13+
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n/an/a 13n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50437838
PNG
(CHEMBL2407749)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+
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n/an/a 20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437844
PNG
(CHEMBL2407896)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccc3)n[nH]c2c1
Show InChI InChI=1S/C24H17N3O/c28-24-20(18-8-4-5-9-21(18)25-24)14-17-10-12-19-22(26-27-23(19)15-17)13-11-16-6-2-1-3-7-16/h1-15H,(H,25,28)(H,26,27)/b13-11+,20-14+
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n/an/a 42n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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n/an/a 46n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437862
PNG
(CHEMBL2407916)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-4-5-15-13(8-12)14(17(21)19-15)6-10-2-3-11-9-18-20-16(11)7-10/h2-9H,1H3,(H,18,20)(H,19,21)/b14-6+
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n/an/a 47n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437856
PNG
(CHEMBL2407914)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C16H10ClN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8H,(H,18,20)(H,19,21)/b13-5+
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n/an/a 54n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437860
PNG
(CHEMBL2407912)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C16H10FN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8H,(H,18,20)(H,19,21)/b13-5+
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n/an/a 60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50437838
PNG
(CHEMBL2407749)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+
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n/an/a 130n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 180n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 210n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50065304
PNG
(3-[1-(4-Hydroxy-phenyl)-meth-(Z)-ylidene]-1,3-dihy...)
Show SMILES Oc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-
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n/an/a 230n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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n/an/a 230n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437857
PNG
(CHEMBL2407913)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C16H10FN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8H,(H,18,20)(H,19,21)/b13-5-
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n/an/a 240n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437839
PNG
(CHEMBL2407911)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9H,(H,17,19)(H,18,20)/b13-7+
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n/an/a 290n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 370n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437858
PNG
(CHEMBL2407910)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-15(12)18-16)8-10-5-6-14-11(7-10)9-17-19-14/h1-9H,(H,17,19)(H,18,20)/b13-8-
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n/an/a 390n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50437842
PNG
(CHEMBL2407899)
Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1
Show InChI InChI=1S/C28H26N6O/c1-33-12-14-34(15-13-33)27-11-8-19(18-29-27)7-10-25-22-9-6-20(17-26(22)32-31-25)16-23-21-4-2-3-5-24(21)30-28(23)35/h2-11,16-18H,12-15H2,1H3,(H,30,35)(H,31,32)/b10-7+,23-16+
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n/an/a 440n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 800n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437865
PNG
(CHEMBL2407906)
Show SMILES Oc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
Show InChI InChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9-
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n/an/a 860n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437868
PNG
(CHEMBL2407903)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Cl)c1O
Show InChI InChI=1S/C16H11BrClNO3/c1-22-14-6-8(5-12(18)15(14)20)4-11-10-7-9(17)2-3-13(10)19-16(11)21/h2-7,20H,1H3,(H,19,21)/b11-4-
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n/an/a 860n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50437842
PNG
(CHEMBL2407899)
Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1
Show InChI InChI=1S/C28H26N6O/c1-33-12-14-34(15-13-33)27-11-8-19(18-29-27)7-10-25-22-9-6-20(17-26(22)32-31-25)16-23-21-4-2-3-5-24(21)30-28(23)35/h2-11,16-18H,12-15H2,1H3,(H,30,35)(H,31,32)/b10-7+,23-16+
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n/an/a 900n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50437837
PNG
(CHEMBL2407897)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
Show InChI InChI=1S/C27H24N4O/c1-31(2)17-19-9-7-18(8-10-19)12-14-25-22-13-11-20(16-26(22)30-29-25)15-23-21-5-3-4-6-24(21)28-27(23)32/h3-16H,17H2,1-2H3,(H,28,32)(H,29,30)/b14-12+,23-15+
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n/an/a 1.00E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437853
PNG
(CHEMBL2407919)
Show SMILES CC(=O)Nc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1
Show InChI InChI=1S/C18H14N4O2/c1-10(23)20-13-4-5-14-15(18(24)21-17(14)8-13)6-11-2-3-12-9-19-22-16(12)7-11/h2-9H,1H3,(H,19,22)(H,20,23)(H,21,24)/b15-6+
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n/an/a 1.20E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437855
PNG
(CHEMBL2407915)
Show SMILES Clc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1
Show InChI InChI=1S/C16H10ClN3O/c17-11-3-4-12-13(16(21)19-15(12)7-11)5-9-1-2-10-8-18-20-14(10)6-9/h1-8H,(H,18,20)(H,19,21)/b13-5+
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n/an/a 1.30E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50437837
PNG
(CHEMBL2407897)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
Show InChI InChI=1S/C27H24N4O/c1-31(2)17-19-9-7-18(8-10-19)12-14-25-22-13-11-20(16-26(22)30-29-25)15-23-21-5-3-4-6-24(21)28-27(23)32/h3-16H,17H2,1-2H3,(H,28,32)(H,29,30)/b14-12+,23-15+
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n/an/a 1.30E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50437841
PNG
(CHEMBL2407900)
Show SMILES COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18H,11-14H2,1-2H3,(H,31,36)(H,32,33)/b8-4+,24-15+
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n/an/a 1.60E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50437858
PNG
(CHEMBL2407910)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-15(12)18-16)8-10-5-6-14-11(7-10)9-17-19-14/h1-9H,(H,17,19)(H,18,20)/b13-8-
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n/an/a 1.90E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437859
PNG
(CHEMBL2407909)
Show SMILES O=C1Nc2ccccc2C1=Cc1ccc2nn[nH]c2c1
Show InChI InChI=1S/C15H10N4O/c20-15-11(10-3-1-2-4-12(10)16-15)7-9-5-6-13-14(8-9)18-19-17-13/h1-8H,(H,16,20)(H,17,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50437868
PNG
(CHEMBL2407903)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Cl)c1O
Show InChI InChI=1S/C16H11BrClNO3/c1-22-14-6-8(5-12(18)15(14)20)4-11-10-7-9(17)2-3-13(10)19-16(11)21/h2-7,20H,1H3,(H,19,21)/b11-4-
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n/an/a 3.60E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50437860
PNG
(CHEMBL2407912)
Show SMILES Fc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C16H10FN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8H,(H,18,20)(H,19,21)/b13-5+
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n/an/a 4.40E+3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
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