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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK2/Cyclin A/Cyclin A1' and Ligand = 'BDBM50003691'   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50003691
PNG
(CHEMBL567624)
Show SMILES Cl.CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(.89,-6.67,;1.17,-16.84,;2.19,-15.69,;3.7,-16,;1.7,-14.23,;2.6,-12.98,;1.68,-11.74,;.23,-12.23,;-1.11,-11.47,;-1.11,-9.93,;-2.45,-9.17,;-3.78,-9.95,;-3.94,-11.49,;-5.44,-11.81,;-6.22,-10.48,;-5.2,-9.33,;-7.76,-10.49,;-8.53,-9.15,;-10.07,-9.15,;-10.83,-10.49,;-10.05,-11.83,;-8.52,-11.82,;-2.44,-12.25,;-2.43,-13.79,;-3.76,-14.56,;-3.75,-16.1,;-2.42,-16.86,;-2.42,-18.41,;-3.76,-19.18,;-3.76,-20.72,;-5.09,-18.41,;-5.09,-16.88,;-1.09,-14.55,;.24,-13.77,)|
Show InChI InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-28-20-21(26-12-19-13-27-23(33-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18;/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31);1H/t17-,18-;
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0500n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Bioorg Med Chem Lett 19: 6613-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.011
BindingDB Entry DOI: 10.7270/Q2M32WPQ
More data for this
Ligand-Target Pair