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BDBM50335335 2-Benzyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one::CHEMBL1651461

SMILES: Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1

InChI Key: InChIKey=PPOHPGMKFGMFKE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335335   
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 A


(Homo sapiens (Human))
BDBM50335335
PNG
(2-Benzyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-13-11-17(22-21-13)20-18-15-9-5-6-10-16(15)19(25)24(23-18)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50335335
PNG
(2-Benzyl-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phth...)
Show SMILES Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H17N5O/c1-13-11-17(22-21-13)20-18-15-9-5-6-10-16(15)19(25)24(23-18)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair