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BDBM126502 US8778951, 312

SMILES: CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1

InChI Key: InChIKey=RPQNTZHFUREGDI-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126502   
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))		BDBM126502
PNG
(US8778951, 312)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.19,(2.67,-1.15,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,)|
Show InChI InChI=1S/C23H31ClFN5O/c1-23(8-10-31-11-9-23)14-28-22-19(25)6-7-20(30-22)17-12-21(27-13-18(17)24)29-16-4-2-15(26)3-5-16/h6-7,12-13,15-16H,2-5,8-11,14,26H2,1H3,(H,27,29)(H,28,30)/t15-,16-
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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