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BDBM50319570 1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)urea::CHEMBL1084634

SMILES: CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12

InChI Key: InChIKey=RETUSTLIJKZUGV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50319570   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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Article
PubMed
n/an/a 534n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50319570
PNG
(1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...)
Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)
PDB
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NCI pathway
Reactome pathway
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair