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BDBM126550 US8778951, 361

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

InChI Key: InChIKey=IKTJCKZXQBIYHS-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126550   
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))		BDBM126550
PNG
(US8778951, 361)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6,2.7,;4.67,1.93,;4.67,.39,;3.33,2.7,;3.33,4.24,;2,5,;.67,4.24,;.67,2.7,;2,1.93,;-.67,5.01,;-2,4.23,;-2,2.69,;-3.33,1.92,;-4.67,2.69,;-6,1.92,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;2,-2.7,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;4.67,-2.7,;3.33,-1.93,;2,-1.16,;2,.38,;-2,-.39,)|
Show InChI InChI=1S/C25H33ClN6O/c1-32(2)19-8-6-18(7-9-19)30-24-14-20(21(26)15-28-24)22-4-3-5-23(31-22)29-17-25(16-27)10-12-33-13-11-25/h3-5,14-15,18-19H,6-13,17H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-
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Similars
US Patent
n/an/a 0.000300n/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