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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 = 'BDBM50378303'   
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))
BDBM50378303
PNG
(CHEMBL567208)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(23.68,-16.97,;24.7,-15.81,;26.21,-16.12,;24.21,-14.35,;25.11,-13.1,;24.19,-11.87,;22.74,-12.35,;21.4,-11.6,;21.39,-10.06,;20.06,-9.29,;18.73,-10.07,;18.57,-11.61,;17.07,-11.94,;16.29,-10.61,;17.31,-9.46,;14.75,-10.61,;13.98,-11.94,;12.46,-11.95,;11.68,-10.61,;12.44,-9.28,;13.98,-9.28,;20.07,-12.37,;20.08,-13.91,;18.75,-14.69,;18.75,-16.23,;20.08,-16.99,;20.09,-18.53,;18.75,-19.31,;18.75,-20.85,;17.42,-18.53,;17.41,-17,;21.42,-14.68,;22.75,-13.89,)|
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-19-9-10-20(33-19)16-4-3-11-26-12-16)30-24(31-23(21)32)29-18-7-5-17(25)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-
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