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BDBM50376009 CHEMBL409103

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

InChI Key: InChIKey=YHYJQEMFCWJMSJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50376009   
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))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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PubMed
n/an/a 1.30n/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))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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n/an/a 4.30E+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))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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n/an/a 1.29n/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))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
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n/an/a 1.70E+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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376009
PNG
(CHEMBL409103)
Show SMILES CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C25H24N2O4/c1-4-11-27-25(28)19-7-5-6-16-13-17(8-9-18(16)19)31-22-10-12-26-21-15-24(30-3)23(29-2)14-20(21)22/h5-10,12-15H,4,11H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+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