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BDBM126504 US8778951, 314

SMILES: COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1

InChI Key: InChIKey=IQQSAJSBQYLYIH-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126504   
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))		BDBM126504
PNG
(US8778951, 314)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C25H35ClFN5O2/c1-33-13-10-28-18-2-4-19(5-3-18)31-24-14-20(21(26)16-29-24)23-7-6-22(27)25(32-23)30-15-17-8-11-34-12-9-17/h6-7,14,16-19,28H,2-5,8-13,15H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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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