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BDBM126518 US8778951, 329

SMILES: COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOC(C)(C)C2)n1

InChI Key: InChIKey=NROKDTDCYXNXSQ-VTKXFCLISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126518   
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))		BDBM126518
PNG
(US8778951, 329)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOC(C)(C)C2)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;4,4.23,;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,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;2.67,-1.15,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C28H42ClN5O2/c1-19(18-35-4)32-21-8-10-22(11-9-21)33-27-14-23(24(29)17-31-27)25-6-5-7-26(34-25)30-16-20-12-13-36-28(2,3)15-20/h5-7,14,17,19-22,32H,8-13,15-16,18H2,1-4H3,(H,30,34)(H,31,33)/t19-,20?,21-,22-/m1/s1
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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