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BDBM50307537 CHEMBL606409::N-1-Dimethyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

SMILES: CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21

InChI Key: InChIKey=TZBRTWANJDQXNF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50307537   
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))
BDBM50307537
PNG
(CHEMBL606409 | N-1-Dimethyl-8-{[1-(phenylcarbonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21
Show InChI InChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307537
PNG
(CHEMBL606409 | N-1-Dimethyl-8-{[1-(phenylcarbonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21
Show InChI InChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair