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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126524'   
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


(Homo sapiens (Human))
BDBM126524
PNG
(US8778951, 335)
Show SMILES CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(CCOCC3)C#N)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;.82,-1.15,;.82,.38,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
Show InChI InChI=1S/C27H34ClFN6O3/c1-26(37-12-13-38-26)35-19-4-2-18(3-5-19)33-24-14-20(21(28)15-31-24)23-7-6-22(29)25(34-23)32-17-27(16-30)8-10-36-11-9-27/h6-7,14-15,18-19,35H,2-5,8-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
PDB
MMDB

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Similars

US Patent
n/an/a 0.000270n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final total protein concentration in the assay 4 nM. The 5TAMRA-cdk7tide peptide substrat...


US Patent US8778951 (2014)


BindingDB Entry DOI: 10.7270/Q25B014T
More data for this
Ligand-Target Pair