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BDBM126546 US8778951, 357

SMILES: O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1

InChI Key: InChIKey=BTTVMKDPXLZLII-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126546   
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))		BDBM126546
PNG
(US8778951, 357)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5,;1.33,4.24,;1.33,2.7,;2.67,1.93,;,5.01,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;2.67,-1.16,;2.67,.38,;-1.33,-.39,)|
Show InChI InChI=1S/C23H27ClFN5O2/c24-18-12-27-21(29-15-1-3-16(31)4-2-15)11-17(18)20-6-5-19(25)22(30-20)28-14-23(13-26)7-9-32-10-8-23/h5-6,11-12,15-16,31H,1-4,7-10,14H2,(H,27,29)(H,28,30)/t15-,16-
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Similars
US Patent
n/an/a 0.000160n/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