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BDBM50375996 CHEMBL272250

SMILES: COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O

InChI Key: InChIKey=IAYJLHOAEWIYAY-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 = 50375996   
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))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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PubMed
n/an/a 185n/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))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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n/an/a 0.370n/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))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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n/an/a 1.80E+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
Aurora kinase A


(Homo sapiens (Human))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
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n/an/a 4.40E+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))
BDBM50375996
PNG
(CHEMBL272250)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O
Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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