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BDBM50307514 1-Methyl-8-[(pyridin-2-ylmethyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL607852

SMILES: Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12

InChI Key: InChIKey=ODEUXLJOADOSHS-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 = 50307514   
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))
BDBM50307514
PNG
(1-Methyl-8-[(pyridin-2-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)6-5-10-8-20-17(22-13(10)15)21-9-11-4-2-3-7-19-11/h2-4,7-8H,5-6,9H2,1H3,(H2,18,25)(H,20,21,22)
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 4.64E+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))
BDBM50307514
PNG
(1-Methyl-8-[(pyridin-2-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)6-5-10-8-20-17(22-13(10)15)21-9-11-4-2-3-7-19-11/h2-4,7-8H,5-6,9H2,1H3,(H2,18,25)(H,20,21,22)
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 87n/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