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BDBM50307511 8-(Cyclopentylamino)-1-phenyl-4,5-dihydro-1H-pyrazolo[4,3-h]-quinazoline-3-carboxamide::CHEMBL599210

SMILES: NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1

InChI Key: InChIKey=BNBOPMICSCGSGW-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307511   
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))
BDBM50307511
PNG
(8-(Cyclopentylamino)-1-phenyl-4,5-dihydro-1H-pyraz...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1
Show InChI InChI=1S/C21H22N6O/c22-20(28)18-16-11-10-13-12-23-21(24-14-6-4-5-7-14)25-17(13)19(16)27(26-18)15-8-2-1-3-9-15/h1-3,8-9,12,14H,4-7,10-11H2,(H2,22,28)(H,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.05E+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))
BDBM50307511
PNG
(8-(Cyclopentylamino)-1-phenyl-4,5-dihydro-1H-pyraz...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1
Show InChI InChI=1S/C21H22N6O/c22-20(28)18-16-11-10-13-12-23-21(24-14-6-4-5-7-14)25-17(13)19(16)27(26-18)15-8-2-1-3-9-15/h1-3,8-9,12,14H,4-7,10-11H2,(H2,22,28)(H,23,24,25)
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 20n/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