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BDBM50376004 CHEMBL271189

SMILES: COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

InChI Key: InChIKey=VGXCATLWCWFSPS-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 = 50376004   
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))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
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Article
PubMed
n/an/a 4.20n/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))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
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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 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))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
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PubMed
n/an/a 4.17n/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))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
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n/an/a 3.50E+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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376004
PNG
(CHEMBL271189)
Show SMILES COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


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