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BDBM126555 US8778951, 366

SMILES: CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1

InChI Key: InChIKey=MLKMJMPHKRKDEA-MEMLXQNLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126555   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-T1


(Homo sapiens (Human))		BDBM126555
PNG
(US8778951, 366)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(6.67,1.93,;5.33,2.69,;4,1.93,;4,.39,;5.33,-.38,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;-2.67,-.39,)|
Show InChI InChI=1S/C27H37ClN6O/c1-3-34(4-2)21-10-8-20(9-11-21)32-26-16-22(23(28)17-30-26)24-6-5-7-25(33-24)31-19-27(18-29)12-14-35-15-13-27/h5-7,16-17,20-21H,3-4,8-15,19H2,1-2H3,(H,30,32)(H,31,33)/t20-,21-
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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