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BDBM50130583 5H-Benzo[c][1,8]naphthyridin-6-one::CHEMBL110381

SMILES: O=c1[nH]c2ncccc2c2ccccc12

InChI Key: InChIKey=YLSBDRGLLZDAKB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50130583   
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))
BDBM50130583
PNG
(5H-Benzo[c][1,8]naphthyridin-6-one | CHEMBL110381)
Show SMILES O=c1[nH]c2ncccc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 5.54E+3n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50130583
PNG
(5H-Benzo[c][1,8]naphthyridin-6-one | CHEMBL110381)
Show SMILES O=c1[nH]c2ncccc2c2ccccc12
Show InChI InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 311n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)

More data for this
Ligand-Target Pair