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BDBM50050851 CHEMBL3318023

SMILES: CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1

InChI Key: InChIKey=YGLAORIVGOGYSS-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 = 50050851   
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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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Article
PubMed
n/an/a 3.71E+4n/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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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Article
PubMed
n/an/a 2.23E+3n/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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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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 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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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UniChem

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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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
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Article
PubMed
n/an/a 2.08E+4n/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))
BDBM50050851
PNG
(CHEMBL3318023)
Show SMILES CCNC(=O)Nc1ccc2ncc(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O2/c1-3-19-18(23)22-17-9-8-15-16(21-17)10-13(11-20-15)12-4-6-14(24-2)7-5-12/h4-11H,3H2,1-2H3,(H2,19,21,22,23)
PDB
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NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 1.13E+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