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BDBM50389241 CHEMBL1990583

SMILES: Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

InChI Key: InChIKey=DASFSPDIWCMVRW-UHFFFAOYSA-N

Data: 22 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50389241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a<3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a<3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor


(Homo Sapiens)
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkA in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 566n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of lck in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 340n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Irak4 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 296n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Erk2 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Met in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Jnk1 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Jak2 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens)
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Camk4 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Alk1 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 8.14E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Jak3 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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n/an/a 5.34E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Gsk3alpha in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens)
BDBM50389241
PNG
(CHEMBL1990583)
Show SMILES Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C20H16FN7O2/c21-12-2-1-3-15(10-12)27-20(30)26-14-6-4-13(5-7-14)25-19(29)16-8-9-28-17(16)18(22)23-11-24-28/h1-11H,(H,25,29)(H2,22,23,24)(H2,26,27,30)
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MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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UniChem

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Article
PubMed
n/an/a<3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Plk4 in presence of 10 uM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)

More data for this
Ligand-Target Pair