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Compile Data Set for Download or QSAR

Found 1167 hits with Last Name = 'forrest' and Initial = 'bt'   
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))
BDBM375329
PNG
(US10358436, Example A49 | US9907800, Example A122 ...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
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n/an/a 0.450n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375318
PNG
(US10358436, Example A39 | US9907800, Example A38 |...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375291
PNG
(US10358436, Example A16 | US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375291
PNG
(US10358436, Example A16 | US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375414
PNG
(US10358436, Example A126 | US9907800, Example A126)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)c2c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375482
PNG
(US10358436, Example A191 | US9907800, Example A191)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CCO)CC3)c2c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375412
PNG
(US10358436, Example A124 | US9907800, Example A124)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C3(F)CCN(C)CC3)c2c1 |r|
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n/an/a 1.5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375381
PNG
(US10358436, Example A99 | US9907800, Example A98 |...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|
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n/an/a 1.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375401
PNG
(US9907800, Example A117)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCC(O)CC3)c2c1 |r|
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n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375317
PNG
(US9907800, Example A37)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccnc(c3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 2.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50533815
PNG
(CHEMBL4434704)
Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+
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n/an/a 2.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM408602
PNG
(US10358436, Example A20)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCOCC3)c2c1 |r|
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n/an/a 4.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375501
PNG
(US10358436, Example A210 | US9907800, Example A210)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(F)cc12 |r|
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n/an/a 5.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375329
PNG
(US10358436, Example A49 | US9907800, Example A122 ...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
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n/an/a 6.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375318
PNG
(US10358436, Example A39 | US9907800, Example A38 |...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 6.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375482
PNG
(US10358436, Example A191 | US9907800, Example A191)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CCO)CC3)c2c1 |r|
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n/an/a 7n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375381
PNG
(US10358436, Example A99 | US9907800, Example A98 |...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|
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n/an/a 8.5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375291
PNG
(US10358436, Example A16 | US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375414
PNG
(US10358436, Example A126 | US9907800, Example A126)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)c2c1 |r|
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n/an/a 13n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50533818
PNG
(CHEMBL4437872)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(C=C3C(=O)Nc4ccccc34)ccc12
Show InChI InChI=1S/C26H24N6O/c1-31-10-12-32(13-11-31)24-9-7-18(16-27-24)25-20-8-6-17(15-23(20)29-30-25)14-21-19-4-2-3-5-22(19)28-26(21)33/h2-9,14-16H,10-13H2,1H3,(H,28,33)(H,29,30)/b21-14+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533818
PNG
(CHEMBL4437872)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(C=C3C(=O)Nc4ccccc34)ccc12
Show InChI InChI=1S/C26H24N6O/c1-31-10-12-32(13-11-31)24-9-7-18(16-27-24)25-20-8-6-17(15-23(20)29-30-25)14-21-19-4-2-3-5-22(19)28-26(21)33/h2-9,14-16H,10-13H2,1H3,(H,28,33)(H,29,30)/b21-14+
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n/an/a 17n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533819
PNG
(CHEMBL4579738)
Show SMILES O=C1Nc2ccccc2C1=Cc1ccc2c(n[nH]c2c1)-c1cccnc1
Show InChI InChI=1S/C21H14N4O/c26-21-17(15-5-1-2-6-18(15)23-21)10-13-7-8-16-19(11-13)24-25-20(16)14-4-3-9-22-12-14/h1-12H,(H,23,26)(H,24,25)/b17-10+
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n/an/a 27n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533815
PNG
(CHEMBL4434704)
Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50533819
PNG
(CHEMBL4579738)
Show SMILES O=C1Nc2ccccc2C1=Cc1ccc2c(n[nH]c2c1)-c1cccnc1
Show InChI InChI=1S/C21H14N4O/c26-21-17(15-5-1-2-6-18(15)23-21)10-13-7-8-16-19(11-13)24-25-20(16)14-4-3-9-22-12-14/h1-12H,(H,23,26)(H,24,25)/b17-10+
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n/an/a 29n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375290
PNG
(US10358436, Example A15 | US9907800, Example A15)
Show SMILES COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50533815
PNG
(CHEMBL4434704)
Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+
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n/an/a 35n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of AURKB (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM375329
PNG
(US10358436, Example A49 | US9907800, Example A122 ...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
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n/an/a 44n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM375318
PNG
(US10358436, Example A39 | US9907800, Example A38 |...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 45n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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 49n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533816
PNG
(CHEMBL4449539)
Show SMILES O=C1Nc2ccccc2C1=Cc1ccc2c(n[nH]c2c1)-c1ccc[nH]1
Show InChI InChI=1S/C20H14N4O/c25-20-15(13-4-1-2-5-16(13)22-20)10-12-7-8-14-18(11-12)23-24-19(14)17-6-3-9-21-17/h1-11,21H,(H,22,25)(H,23,24)/b15-10+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM408600
PNG
(US10358436, Example A18)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12 |r|
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n/an/a 54n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM375381
PNG
(US10358436, Example A99 | US9907800, Example A98 |...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12 |r|
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n/an/a 62n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50533816
PNG
(CHEMBL4449539)
Show SMILES O=C1Nc2ccccc2C1=Cc1ccc2c(n[nH]c2c1)-c1ccc[nH]1
Show InChI InChI=1S/C20H14N4O/c25-20-15(13-4-1-2-5-16(13)22-20)10-12-7-8-14-18(11-12)23-24-19(14)17-6-3-9-21-17/h1-11,21H,(H,22,25)(H,23,24)/b15-10+
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n/an/a 64n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533821
PNG
(CHEMBL4466113)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(n[nH]c2c1)-c1nccs1
Show InChI InChI=1S/C19H12N4OS/c24-18-14(12-3-1-2-4-15(12)21-18)9-11-5-6-13-16(10-11)22-23-17(13)19-20-7-8-25-19/h1-10H,(H,21,24)(H,22,23)/b14-9+
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n/an/a 72n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM375482
PNG
(US10358436, Example A191 | US9907800, Example A191)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CCO)CC3)c2c1 |r|
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n/an/a 77n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM375501
PNG
(US10358436, Example A210 | US9907800, Example A210)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(F)cc12 |r|
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n/an/a 98n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375433
PNG
(US9907800, Example A145)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCN(C)CC4)cc3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375434
PNG
(US10358436, Example A146 | US9907800, Example A146)
Show SMILES CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375434
PNG
(US10358436, Example A146 | US9907800, Example A146)
Show SMILES CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359 | US10358436, Example A147 | US99078...)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375436
PNG
(US10358436, Example A148 | US9907800, Example A148)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375437
PNG
(US9907800, Example A149)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044659
PNG
(CHEMBL3353343 | US10358436, Example A150 | US99078...)
Show SMILES Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044659
PNG
(CHEMBL3353343 | US10358436, Example A150 | US99078...)
Show SMILES Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375440
PNG
(US10358436, Example A152 | US9907800, Example A152)
Show SMILES O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375443
PNG
(US10358436, Example A154 | US9907800, Example A154)
Show SMILES O=C1Nc2ccccc2[C@]11CC1c1ccc2c(n[nH]c2c1)-c1ccc(CN2CCOCC2)cc1 |r|
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375444
PNG
(US9907800, Example A155)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccccc23)CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
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