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BDBM50375997 CHEMBL272252

SMILES: COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1

InChI Key: InChIKey=ISVKXCPIKLZVQW-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 = 50375997   
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))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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n/an/a 130n/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))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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n/an/a 1.20n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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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))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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n/an/a 8.30E+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))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
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KEGG

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UniProtKB/TrEMBL

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Article
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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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50375997
PNG
(CHEMBL272252)
Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(N)=O)ccnc2c1
Show InChI InChI=1S/C21H16N2O3/c1-25-14-5-8-18-19(12-14)23-10-9-20(18)26-15-6-7-16-13(11-15)3-2-4-17(16)21(22)24/h2-12H,1H3,(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
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