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BDBM126549 US8778951, 360

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

InChI Key: InChIKey=AKLQTILQYJZJRC-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126549   
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))		BDBM126549
PNG
(US8778951, 360)
Show SMILES CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;1.33,5,;,4.24,;,2.7,;1.33,1.93,;-1.33,5.01,;-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,-2.7,;1.33,-4.24,;2.67,-5.01,;4,-4.24,;4,-2.7,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;-2.67,-.39,)|
Show InChI InChI=1S/C25H33ClN6O/c1-2-28-18-6-8-19(9-7-18)31-24-14-20(21(26)15-29-24)22-4-3-5-23(32-22)30-17-25(16-27)10-12-33-13-11-25/h3-5,14-15,18-19,28H,2,6-13,17H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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Similars
US Patent
n/an/a 0.000280n/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