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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 12099   
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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM12099
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
Show InChI InChI=1S/C22H28N6O3/c1-2-3-10-23-22(31)27-13-17-18(14-27)25-26-21(17)24-19(29)12-15-6-8-16(9-7-15)28-11-4-5-20(28)30/h6-9H,2-5,10-14H2,1H3,(H,23,31)(H2,24,25,26,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 51n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM12099
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
Show InChI InChI=1S/C22H28N6O3/c1-2-3-10-23-22(31)27-13-17-18(14-27)25-26-21(17)24-19(29)12-15-6-8-16(9-7-15)28-11-4-5-20(28)30/h6-9H,2-5,10-14H2,1H3,(H,23,31)(H2,24,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair