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BDBM126539 US8778951, 350

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

InChI Key: InChIKey=UVWSWBYJPMXGEG-MXVIHJGJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126539   
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))		BDBM126539
PNG
(US8778951, 350)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CO)CCOCC2)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,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-1.15,;1.33,-.38,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C26H38ClN5O3/c1-34-14-11-28-19-5-7-20(8-6-19)31-25-15-21(22(27)16-29-25)23-3-2-4-24(32-23)30-17-26(18-33)9-12-35-13-10-26/h2-4,15-16,19-20,28,33H,5-14,17-18H2,1H3,(H,29,31)(H,30,32)/t19-,20-
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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