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BDBM50307531 8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL600394

SMILES: CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21

InChI Key: InChIKey=RANSINIOMGOPCF-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 = 50307531   
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))
BDBM50307531
PNG
(8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...)
Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
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))
BDBM50307531
PNG
(8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...)
Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)
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 59n/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