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BDBM50307508 8-(Cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL599824

SMILES: CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21

InChI Key: InChIKey=GMMJFFFHKSLXFV-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 = 50307508   
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))
BDBM50307508
PNG
(8-(Cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-di...)
Show SMILES CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.06E+3n/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))
BDBM50307508
PNG
(8-(Cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-di...)
Show SMILES CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 175n/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