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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126509'   
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))
BDBM126509
PNG
(US8778951, 320)
Show SMILES CC1(C)OC[C@@H](CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2nc(NCC3CCOCC3)ccc2Cl)O1 |r,wU:11.14,5.5,wD:8.7,(8.24,1.68,;6.91,.91,;8.24,.14,;6,-.34,;4.54,.14,;4.54,1.68,;3.21,2.45,;1.87,1.68,;.54,2.45,;.54,3.99,;-.79,4.76,;-2.13,3.99,;-2.13,2.45,;-.79,1.68,;-3.46,4.76,;-4.8,3.99,;-4.8,2.45,;-6.13,1.68,;-7.46,2.45,;-8.8,1.68,;-7.46,3.99,;-6.13,4.76,;-6.13,.14,;-4.8,-.63,;-4.8,-2.17,;-3.46,-2.94,;-2.13,-2.17,;-.79,-2.94,;-.79,-4.48,;.54,-5.25,;1.87,-4.48,;1.87,-2.94,;.54,-2.17,;-6.13,-2.94,;-7.46,-2.17,;-7.46,-.63,;-8.8,.14,;6,2.15,)|
Show InChI InChI=1S/C28H39Cl2N5O3/c1-28(2)37-17-21(38-28)15-31-19-3-5-20(6-4-19)34-26-13-22(24(30)16-33-26)27-23(29)7-8-25(35-27)32-14-18-9-11-36-12-10-18/h7-8,13,16,18-21,31H,3-6,9-12,14-15,17H2,1-2H3,(H,32,35)(H,33,34)/t19-,20-,21-/m1/s1
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Similars

US Patent
n/an/a 0.00100n/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