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BDBM50433629 CHEMBL2380845

SMILES: O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1

InChI Key: InChIKey=XLSPYLMTRXPYKY-UHFFFAOYSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 50433629   
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
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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Article
PubMed
n/an/a 819n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK3


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 401n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of WNK3 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 211n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SIK (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 149n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

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


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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PubMed
n/an/a 36n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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PubMed
n/an/a 15n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ret (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

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


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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PubMed
n/an/a 208n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3


Bioorg Med Chem Lett 23: 3081-7 (2013)

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


(Homo sapiens (human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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PubMed
n/an/a 4n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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n/an/a 41n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair