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BDBM50218900 7-fluoroindirubin-3-acetoxime::CHEMBL243985

SMILES: CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F

InChI Key: InChIKey=LUYOXALQAMSHJK-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50218900   
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))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM50218900
PNG
(7-fluoroindirubin-3-acetoxime | CHEMBL243985)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2c1cccc2F
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-10-5-2-3-8-13(10)20-17(16)14-11-6-4-7-12(19)15(11)21-18(14)24/h2-8,20H,1H3,(H,21,24)
NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair