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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 126521   
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))
BDBM126521
PNG
(US8778951, 332)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)C3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.22,(.15,-1.15,;.15,-2.69,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,.38,;-6.52,-.38,;-6.52,-1.93,;-5.19,-2.69,;-5.19,-4.23,;-5.19,1.93,;-3.85,2.69,;-3.85,4.23,;-2.52,5,;-1.18,4.23,;.15,5,;1.48,4.23,;1.48,2.69,;.15,1.93,;-1.18,2.69,;2.82,1.93,;4.15,2.69,;4.15,4.23,;5.61,4.71,;6.52,3.47,;7.85,4.23,;7.85,2.69,;5.61,2.22,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;.15,-4.23,;1.48,-5,;2.82,-4.23,;2.82,-2.69,;1.48,-1.92,)|
Show InChI InChI=1S/C27H37ClFN5O3S/c1-27(9-11-37-12-10-27)17-31-26-23(29)6-7-24(34-26)21-14-25(30-15-22(21)28)33-19-4-2-18(3-5-19)32-20-8-13-38(35,36)16-20/h6-7,14-15,18-20,32H,2-5,8-13,16-17H2,1H3,(H,30,33)(H,31,34)/t18-,19-,20?
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