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BDBM50376013 CHEMBL410903

SMILES: COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC

InChI Key: InChIKey=KEGATCOFPMKYRA-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50376013   
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))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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PubMed
n/an/a 15n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 3.20E+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))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 620n/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))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 12.0n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
PDB

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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
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n/an/a 9n/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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50376013
PNG
(CHEMBL410903)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC
Show InChI InChI=1S/C27H26N2O4/c1-31-25-15-22-23(16-26(25)32-2)28-13-12-24(22)33-19-10-11-20-17(14-19)6-5-9-21(20)27(30)29-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3,(H,29,30)
PDB
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KEGG

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CHEMBL
PC cid
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Article
PubMed
n/an/a 1.40E+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