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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 = 'BDBM50378309'   
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))
BDBM50378309
PNG
(CHEMBL568093)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.7,-44.37,;1.73,-43.22,;3.23,-43.53,;1.24,-41.76,;2.13,-40.51,;1.22,-39.28,;-.24,-39.76,;-1.57,-39.01,;-1.58,-37.47,;-2.92,-36.7,;-4.25,-37.48,;-4.24,-39.02,;-5.57,-39.8,;-6.91,-39.03,;-6.92,-37.49,;-5.59,-36.72,;-8.24,-39.81,;-9.65,-39.19,;-10.67,-40.33,;-9.9,-41.67,;-8.39,-41.34,;-2.91,-39.78,;-2.9,-41.32,;-4.23,-42.1,;-4.22,-43.64,;-2.89,-44.4,;-2.89,-45.94,;-4.22,-46.71,;-4.22,-48.25,;-5.56,-45.94,;-5.56,-44.41,;-1.56,-42.08,;-.23,-41.3,)|
Show InChI InChI=1S/C25H32N8/c1-17(2)33-16-28-22-23(27-15-18-5-11-21(12-6-18)32-13-3-4-14-32)30-25(31-24(22)33)29-20-9-7-19(26)8-10-20/h3-6,11-14,16-17,19-20H,7-10,15,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/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