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PubMed code 22560567

Compile data set for download or QSAR
Found 82 hits of Enzyme Inhibition Constant Data   
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
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 1.40n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383736
PNG
(CHEMBL2030400)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383727
PNG
(CHEMBL2030389)
Show SMILES Brc1ccc2oc3c(nc(CN4CCCC4)[nH]c3=O)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(7-9)13-14(21-11)15(20)18-12(17-13)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,17,18,20)
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n/an/a 3.70n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383711
PNG
(CHEMBL2030387)
Show SMILES N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383740
PNG
(CHEMBL2030405)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1
Show InChI InChI=1S/C15H14FN3O3/c1-21-8-2-3-11-9(5-8)12-13(22-11)15(20)19-14(18-12)10-4-7(16)6-17-10/h2-3,5,7,10,17H,4,6H2,1H3,(H,18,19,20)/t7-,10+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383739
PNG
(CHEMBL2030404)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Cl)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11ClFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383730
PNG
(CHEMBL2030393)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383725
PNG
(CHEMBL2030386)
Show SMILES O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383726
PNG
(CHEMBL2030388)
Show SMILES N[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383738
PNG
(CHEMBL2030403)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C15H15N3O3/c1-20-8-4-5-11-9(7-8)12-13(21-11)15(19)18-14(17-12)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3,(H,17,18,19)/t10-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383733
PNG
(CHEMBL2030396)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCNCC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-1-2-11-10(7-9)12-13(21-11)15(20)19-14(18-12)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,19,20)
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n/an/a 6.20n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383734
PNG
(CHEMBL2030398)
Show SMILES CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C15H14BrN3O2/c1-19-6-2-3-10(19)14-17-12-9-7-8(16)4-5-11(9)21-13(12)15(20)18-14/h4-5,7,10H,2-3,6H2,1H3,(H,17,18,20)/t10-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383715
PNG
(CHEMBL2030376)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383712
PNG
(CHEMBL2030392)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1
Show InChI InChI=1S/C13H10BrN3O2/c14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6/h1-3,6,15H,4-5H2,(H,16,17,18)
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n/an/a 7.70n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383713
PNG
(CHEMBL2030397)
Show SMILES CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C12H10BrN3O2/c1-5(14)11-15-9-7-4-6(13)2-3-8(7)18-10(9)12(17)16-11/h2-5H,14H2,1H3,(H,15,16,17)
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n/an/a 7.90n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383735
PNG
(CHEMBL2030399)
Show SMILES O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H12BrN3O3/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)18-13(17-11)9-4-7(19)5-16-9/h1-3,7,9,16,19H,4-5H2,(H,17,18,20)/t7-,9+/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383711
PNG
(CHEMBL2030387)
Show SMILES N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383737
PNG
(CHEMBL2030401)
Show SMILES F[C@@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383737
PNG
(CHEMBL2030401)
Show SMILES F[C@@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383728
PNG
(CHEMBL2030390)
Show SMILES CO[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H16BrN3O3/c1-22-10-4-5-20(7-10)8-13-18-14-11-6-9(17)2-3-12(11)23-15(14)16(21)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,21)/t10-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383715
PNG
(CHEMBL2030376)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383734
PNG
(CHEMBL2030398)
Show SMILES CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C15H14BrN3O2/c1-19-6-2-3-10(19)14-17-12-9-7-8(16)4-5-11(9)21-13(12)15(20)18-14/h4-5,7,10H,2-3,6H2,1H3,(H,17,18,20)/t10-/m0/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383727
PNG
(CHEMBL2030389)
Show SMILES Brc1ccc2oc3c(nc(CN4CCCC4)[nH]c3=O)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(7-9)13-14(21-11)15(20)18-12(17-13)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,17,18,20)
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383725
PNG
(CHEMBL2030386)
Show SMILES O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m1/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383729
PNG
(CHEMBL2030391)
Show SMILES OC(=O)C1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H14BrN3O4/c17-9-1-2-11-10(5-9)13-14(24-11)15(21)19-12(18-13)7-20-4-3-8(6-20)16(22)23/h1-2,5,8H,3-4,6-7H2,(H,22,23)(H,18,19,21)
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n/an/a 13n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383732
PNG
(CHEMBL2030395)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCCNC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(6-9)12-13(21-11)15(20)19-14(18-12)8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19,20)
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n/an/a 15n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383712
PNG
(CHEMBL2030392)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1
Show InChI InChI=1S/C13H10BrN3O2/c14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6/h1-3,6,15H,4-5H2,(H,16,17,18)
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n/an/a 18n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383733
PNG
(CHEMBL2030396)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCNCC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-1-2-11-10(7-9)12-13(21-11)15(20)19-14(18-12)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,19,20)
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383730
PNG
(CHEMBL2030393)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383732
PNG
(CHEMBL2030395)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCCNC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(6-9)12-13(21-11)15(20)19-14(18-12)8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19,20)
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n/an/a 39n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383736
PNG
(CHEMBL2030400)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383739
PNG
(CHEMBL2030404)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Cl)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11ClFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383731
PNG
(CHEMBL2030394)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383713
PNG
(CHEMBL2030397)
Show SMILES CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C12H10BrN3O2/c1-5(14)11-15-9-7-4-6(13)2-3-8(7)18-10(9)12(17)16-11/h2-5H,14H2,1H3,(H,15,16,17)
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n/an/a 72n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383735
PNG
(CHEMBL2030399)
Show SMILES O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H12BrN3O3/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)18-13(17-11)9-4-7(19)5-16-9/h1-3,7,9,16,19H,4-5H2,(H,17,18,20)/t7-,9+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383730
PNG
(CHEMBL2030393)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383738
PNG
(CHEMBL2030403)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C15H15N3O3/c1-20-8-4-5-11-9(7-8)12-13(21-11)15(19)18-14(17-12)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3,(H,17,18,19)/t10-/m0/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383728
PNG
(CHEMBL2030390)
Show SMILES CO[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H16BrN3O3/c1-22-10-4-5-20(7-10)8-13-18-14-11-6-9(17)2-3-12(11)23-15(14)16(21)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,21)/t10-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383736
PNG
(CHEMBL2030400)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383740
PNG
(CHEMBL2030405)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1
Show InChI InChI=1S/C15H14FN3O3/c1-21-8-2-3-11-9(5-8)12-13(22-11)15(20)19-14(18-12)10-4-7(16)6-17-10/h2-3,5,7,10,17H,4,6H2,1H3,(H,18,19,20)/t7-,10+/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383731
PNG
(CHEMBL2030394)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383729
PNG
(CHEMBL2030391)
Show SMILES OC(=O)C1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H14BrN3O4/c17-9-1-2-11-10(5-9)13-14(24-11)15(21)19-12(18-13)7-20-4-3-8(6-20)16(22)23/h1-2,5,8H,3-4,6-7H2,(H,22,23)(H,18,19,21)
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n/an/a 142n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383739
PNG
(CHEMBL2030404)
Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Cl)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11ClFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1
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n/an/a 167n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383726
PNG
(CHEMBL2030388)
Show SMILES N[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m1/s1
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n/an/a 207n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383740
PNG
(CHEMBL2030405)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1
Show InChI InChI=1S/C15H14FN3O3/c1-21-8-2-3-11-9(5-8)12-13(22-11)15(20)19-14(18-12)10-4-7(16)6-17-10/h2-3,5,7,10,17H,4,6H2,1H3,(H,18,19,20)/t7-,10+/m1/s1
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n/an/a 292n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 332n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383727
PNG
(CHEMBL2030389)
Show SMILES Brc1ccc2oc3c(nc(CN4CCCC4)[nH]c3=O)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(7-9)13-14(21-11)15(20)18-12(17-13)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,17,18,20)
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n/an/a 353n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383728
PNG
(CHEMBL2030390)
Show SMILES CO[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H16BrN3O3/c1-22-10-4-5-20(7-10)8-13-18-14-11-6-9(17)2-3-12(11)23-15(14)16(21)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,21)/t10-/m0/s1
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n/an/a 362n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383735
PNG
(CHEMBL2030399)
Show SMILES O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H12BrN3O3/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)18-13(17-11)9-4-7(19)5-16-9/h1-3,7,9,16,19H,4-5H2,(H,17,18,20)/t7-,9+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383716
PNG
(CHEMBL2030375)
Show SMILES Brc1ccc2oc3c(nc[nH]c3=O)c2c1
Show InChI InChI=1S/C10H5BrN2O2/c11-5-1-2-7-6(3-5)8-9(15-7)10(14)13-4-12-8/h1-4H,(H,12,13,14)
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n/an/a 530n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383737
PNG
(CHEMBL2030401)
Show SMILES F[C@@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9-/m0/s1
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n/an/a 566n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383711
PNG
(CHEMBL2030387)
Show SMILES N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m0/s1
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Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383734
PNG
(CHEMBL2030398)
Show SMILES CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C15H14BrN3O2/c1-19-6-2-3-10(19)14-17-12-9-7-8(16)4-5-11(9)21-13(12)15(20)18-14/h4-5,7,10H,2-3,6H2,1H3,(H,17,18,20)/t10-/m0/s1
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n/an/a 802n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383713
PNG
(CHEMBL2030397)
Show SMILES CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
Show InChI InChI=1S/C12H10BrN3O2/c1-5(14)11-15-9-7-4-6(13)2-3-8(7)18-10(9)12(17)16-11/h2-5H,14H2,1H3,(H,15,16,17)
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n/an/a 874n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383723
PNG
(CHEMBL2030383)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Br)c(O)cc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O4/c16-9-3-8-11(4-10(9)21)23-14-13(8)17-12(18-15(14)22)6-19-2-1-7(20)5-19/h3-4,7,20-21H,1-2,5-6H2,(H,17,18,22)/t7-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383738
PNG
(CHEMBL2030403)
Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C15H15N3O3/c1-20-8-4-5-11-9(7-8)12-13(21-11)15(19)18-14(17-12)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3,(H,17,18,19)/t10-/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383733
PNG
(CHEMBL2030396)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCNCC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-1-2-11-10(7-9)12-13(21-11)15(20)19-14(18-12)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,19,20)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383715
PNG
(CHEMBL2030376)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383725
PNG
(CHEMBL2030386)
Show SMILES O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m1/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383716
PNG
(CHEMBL2030375)
Show SMILES Brc1ccc2oc3c(nc[nH]c3=O)c2c1
Show InChI InChI=1S/C10H5BrN2O2/c11-5-1-2-7-6(3-5)8-9(15-7)10(14)13-4-12-8/h1-4H,(H,12,13,14)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383718
PNG
(CHEMBL2030378)
Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Cl)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H14ClN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383732
PNG
(CHEMBL2030395)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCCNC3)c2c1
Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(6-9)12-13(21-11)15(20)19-14(18-12)8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19,20)
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n/an/a 2.36E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383712
PNG
(CHEMBL2030392)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1
Show InChI InChI=1S/C13H10BrN3O2/c14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6/h1-3,6,15H,4-5H2,(H,16,17,18)
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n/an/a 2.54E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383731
PNG
(CHEMBL2030394)
Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m1/s1
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n/an/a 4.59E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383719
PNG
(CHEMBL2030379)
Show SMILES COc1ccc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2c1
Show InChI InChI=1S/C16H17N3O4/c1-22-10-2-3-12-11(6-10)14-15(23-12)16(21)18-13(17-14)8-19-5-4-9(20)7-19/h2-3,6,9,20H,4-5,7-8H2,1H3,(H,17,18,21)/t9-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383722
PNG
(CHEMBL2030382)
Show SMILES O[C@H]1CCN(Cc2nc3c(oc4ccc5OCOc5c34)c(=O)[nH]2)C1
Show InChI InChI=1S/C16H15N3O5/c20-8-3-4-19(5-8)6-11-17-13-12-9(24-15(13)16(21)18-11)1-2-10-14(12)23-7-22-10/h1-2,8,20H,3-7H2,(H,17,18,21)/t8-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human Erg


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383729
PNG
(CHEMBL2030391)
Show SMILES OC(=O)C1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C16H14BrN3O4/c17-9-1-2-11-10(5-9)13-14(24-11)15(21)19-12(18-13)7-20-4-3-8(6-20)16(22)23/h1-2,5,8H,3-4,6-7H2,(H,22,23)(H,18,19,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50383714
PNG
(CHEMBL2030402)
Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1
Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383741
PNG
(CHEMBL2030384)
Show SMILES Cc1cc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2cc1Br
Show InChI InChI=1S/C16H16BrN3O3/c1-8-4-12-10(5-11(8)17)14-15(23-12)16(22)19-13(18-14)7-20-3-2-9(21)6-20/h4-5,9,21H,2-3,6-7H2,1H3,(H,18,19,22)/t9-/m0/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383720
PNG
(CHEMBL2030380)
Show SMILES Cc1cc(Br)cc2c3nc(CN4CC[C@H](O)C4)[nH]c(=O)c3oc12
Show InChI InChI=1S/C16H16BrN3O3/c1-8-4-9(17)5-11-13-15(23-14(8)11)16(22)19-12(18-13)7-20-3-2-10(21)6-20/h4-5,10,21H,2-3,6-7H2,1H3,(H,18,19,22)/t10-/m0/s1
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n/an/a 1.35E+6n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383721
PNG
(CHEMBL2030381)
Show SMILES COc1c(Br)ccc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c12
Show InChI InChI=1S/C16H16BrN3O4/c1-23-14-9(17)2-3-10-12(14)13-15(24-10)16(22)19-11(18-13)7-20-5-4-8(21)6-20/h2-3,8,21H,4-7H2,1H3,(H,18,19,22)/t8-/m0/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383724
PNG
(CHEMBL2030385)
Show SMILES COc1cc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2cc1Br
Show InChI InChI=1S/C16H16BrN3O4/c1-23-12-5-11-9(4-10(12)17)14-15(24-11)16(22)19-13(18-14)7-20-3-2-8(21)6-20/h4-5,8,21H,2-3,6-7H2,1H3,(H,18,19,22)/t8-/m0/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50383717
PNG
(CHEMBL2030377)
Show SMILES O[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1
Show InChI InChI=1S/C15H15N3O3/c19-9-5-6-18(7-9)8-12-16-13-10-3-1-2-4-11(10)21-14(13)15(20)17-12/h1-4,9,19H,5-8H2,(H,16,17,20)/t9-/m0/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%