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BDBM50376011 CHEMBL270754

SMILES: CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

InChI Key: InChIKey=HFLGPAUKVFOIOT-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 = 50376011   
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))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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n/an/a 110n/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))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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n/an/a 3.80n/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))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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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))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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n/an/a 3.80n/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))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
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Article
PubMed
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
PDB
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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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376011
PNG
(CHEMBL270754)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C23H20N2O4/c1-24-23(26)17-6-4-5-14-11-15(7-8-16(14)17)29-20-9-10-25-19-13-22(28-3)21(27-2)12-18(19)20/h4-13H,1-3H3,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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