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BDBM50375994 CHEMBL260531

SMILES: COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12

InChI Key: InChIKey=XZDKAVSSXNBWNJ-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 = 50375994   
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))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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PubMed
n/an/a 233n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375994
PNG
(CHEMBL260531)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(cc34)C(N)=O)ccc12
Show InChI InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair