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BDBM50375998 CHEMBL272251

SMILES: COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12

InChI Key: InChIKey=AOSZKTUKGKSFAV-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 = 50375998   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
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PC cid
PC sid
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Article
PubMed
n/an/a 28n/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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/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))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
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KEGG

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Article
PubMed
n/an/a 28.2n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 60 mins


J Mol Graph Model 27: 642-54 (2008)


Article DOI: 10.1016/j.jmgm.2008.10.006
BindingDB Entry DOI: 10.7270/Q2C24XNX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50375998
PNG
(CHEMBL272251)
Show SMILES COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
Show InChI InChI=1S/C24H22N2O4/c1-28-13-12-26-24(27)20-5-3-4-16-14-18(7-8-19(16)20)30-23-10-11-25-22-15-17(29-2)6-9-21(22)23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/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