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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 9 (CDK9)' and Ligand = 'BDBM50130706'   
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-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
PDB
MMDB

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Patents

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



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...


Eur J Med Chem 103: 539-50 (2015)


BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair