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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50307516   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50307516
PNG
(8-(Cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydr...)
Show SMILES NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/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
Aurora kinase A


(Homo sapiens (Human))		BDBM50307516
PNG
(8-(Cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydr...)
Show SMILES NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.04E+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