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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM50118241'   
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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50118241
PNG
(CHEMBL3612505)
Show SMILES CN(\N=C\c1cnn2ccc(nc12)-c1cccnc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H17N7O4S/c1-14-5-6-17(27(28)29)10-19(14)32(30,31)25(2)22-12-16-13-23-26-9-7-18(24-20(16)26)15-4-3-8-21-11-15/h3-13H,1-2H3/b22-12+
PDB
MMDB

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Similars

Article
PubMed
n/an/a 209n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay


Bioorg Med Chem 23: 6280-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.035
BindingDB Entry DOI: 10.7270/Q2KK9DM6
More data for this
Ligand-Target Pair