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BDBM126551 US8778951, 362

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

InChI Key: InChIKey=QIMDCYIJYDPKDO-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126551   
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))		BDBM126551
PNG
(US8778951, 362)
Show SMILES FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.14,wD:8.7,(8.67,2.7,;7.34,1.93,;7.34,.39,;8.67,1.16,;6,2.7,;4.67,1.93,;3.33,2.7,;2,1.93,;.67,2.7,;.67,4.24,;-.67,5.01,;-2,4.24,;-2,2.7,;-.67,1.93,;-3.33,5.01,;-4.67,4.23,;-4.67,2.69,;-6,1.92,;-7.34,2.69,;-8.67,1.92,;-7.34,4.23,;-6,5,;-6,.38,;-7.34,-.39,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;-.67,-4.24,;.67,-5.01,;2,-4.24,;2,-2.7,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-4.67,-.39,)|
Show InChI InChI=1S/C26H32ClF3N6O2/c27-21-15-33-24(35-19-6-4-18(5-7-19)32-10-13-38-26(28,29)30)14-20(21)22-2-1-3-23(36-22)34-17-25(16-31)8-11-37-12-9-25/h1-3,14-15,18-19,32H,4-13,17H2,(H,33,35)(H,34,36)/t18-,19-
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Similars
US Patent
n/an/a 0.000360n/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