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BDBM50050849 CHEMBL3318025

SMILES: COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1

InChI Key: InChIKey=OUBLXGAHJPBMHW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50050849   
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 pim-1


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of HIPK1 (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a 805n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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PubMed
n/an/a 8.55E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of YES (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50050849
PNG
(CHEMBL3318025)
Show SMILES COc1ccc(cc1OC)-c1cnc2ccc(NC(=O)NC(C)(C)C)nc2c1
Show InChI InChI=1S/C21H24N4O3/c1-21(2,3)25-20(26)24-19-9-7-15-16(23-19)10-14(12-22-15)13-6-8-17(27-4)18(11-13)28-5/h6-12H,1-5H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 24: 3748-52 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.078
BindingDB Entry DOI: 10.7270/Q270832Z
More data for this
Ligand-Target Pair