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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126492'   
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))
BDBM126492
PNG
(US8778951, 302)
Show SMILES FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:11.14,wD:8.7,(8.58,2.45,;7.24,1.68,;7.24,.14,;8.58,.91,;5.91,2.45,;4.58,1.68,;3.24,2.45,;1.91,1.68,;.58,2.45,;.58,3.99,;-.76,4.76,;-2.09,3.99,;-2.09,2.45,;-.76,1.68,;-3.43,4.76,;-4.76,3.99,;-4.76,2.45,;-6.09,1.68,;-7.43,2.45,;-8.76,1.68,;-7.43,3.99,;-6.09,4.76,;-6.09,.14,;-4.76,-.63,;-4.76,-2.17,;-3.43,-2.94,;-2.09,-2.17,;-.76,-2.94,;-.76,-4.48,;.58,-5.25,;1.91,-4.48,;1.91,-2.94,;.58,-2.17,;-6.09,-2.94,;-7.43,-2.17,;-7.43,-.63,;-8.76,.14,)|
Show InChI InChI=1S/C25H32Cl2F3N5O2/c26-20-5-6-22(32-14-16-7-10-36-11-8-16)35-24(20)19-13-23(33-15-21(19)27)34-18-3-1-17(2-4-18)31-9-12-37-25(28,29)30/h5-6,13,15-18,31H,1-4,7-12,14H2,(H,32,35)(H,33,34)/t17-,18-
PDB
MMDB

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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