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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 = 'BDBM258888'   
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))
BDBM258888
PNG
(US9499492, 40)
Show SMILES C[S@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N |r|
Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/a8.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair