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BDBM50376008 CHEMBL408211

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

InChI Key: InChIKey=REKQXOMQYIHNKM-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50376008   
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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 190n/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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 5.90n/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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 5.5n/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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 3.60E+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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
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n/an/a 5n/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))
BDBM50376008
PNG
(CHEMBL408211)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-15(2)27-25(28)19-7-5-6-16-12-17(8-9-18(16)19)31-22-10-11-26-21-14-24(30-4)23(29-3)13-20(21)22/h5-15H,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PubMed
n/an/a 1.80E+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