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BDBM50059453 CHEMBL3393455

SMILES: Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2

InChI Key: InChIKey=ITULOGMVDYUWCK-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50059453   
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
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

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Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of p-38 kinase (unknown origin)


J Med Chem 58: 362-75 (2015)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


J Med Chem 58: 362-75 (2015)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin)


J Med Chem 58: 362-75 (2015)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50059453
PNG
(CHEMBL3393455)
Show SMILES Fc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CNC2
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-1-3-8(10)13-9-5-18-20-15(9)19-11-6-17-7-12(21)14(11)13/h1-5,13,17H,6-7H2,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


J Med Chem 58: 362-75 (2015)

More data for this
Ligand-Target Pair