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BDBM50376003 CHEMBL271984

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

InChI Key: InChIKey=FNVQWFPDIYQCSF-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50376003   
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))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 220n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 0.900n/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))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 6.90E+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))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 5.00E+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))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 0.891n/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 ABL1


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl


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))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
PDB

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antibodypedia
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PubMed
n/an/a 300n/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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50376003
PNG
(CHEMBL271984)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18N2O4/c1-26-20-11-17-18(12-21(20)27-2)24-9-8-19(17)28-14-6-7-15-13(10-14)4-3-5-16(15)22(23)25/h3-12H,1-2H3,(H2,23,25)
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n/an/a 88n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


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