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BDBM126520 US8778951, 331

SMILES: Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCS(=O)(=O)CC2)ncc1Cl

InChI Key: InChIKey=IYLFDVWPVFARIE-HZCBDIJESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126520   
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))		BDBM126520
PNG
(US8778951, 331)
Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCS(=O)(=O)CC2)ncc1Cl |r,wU:19.20,wD:22.27,(-6,-4.48,;-6,-2.94,;-7.34,-2.17,;-7.34,-.63,;-6,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-2,-2.17,;-.67,-2.94,;-.67,-4.48,;.67,-5.25,;2,-4.48,;2,-2.94,;.67,-2.17,;-6,1.68,;-4.67,2.45,;-4.67,3.99,;-3.33,4.76,;-2,3.99,;-.67,4.76,;.67,3.99,;.67,2.45,;-.67,1.68,;-2,2.45,;2,1.68,;3.33,2.45,;4.67,1.68,;4.67,.14,;6,-.63,;7.34,.14,;8.67,.91,;8.67,-.63,;7.34,1.68,;6,2.45,;-6,4.76,;-7.34,3.99,;-7.34,2.45,;-8.67,1.68,)|
Show InChI InChI=1S/C28H39ClFN5O3S/c29-24-18-32-27(34-22-3-1-21(2-4-22)31-16-20-9-13-39(36,37)14-10-20)15-23(24)26-6-5-25(30)28(35-26)33-17-19-7-11-38-12-8-19/h5-6,15,18-22,31H,1-4,7-14,16-17H2,(H,32,34)(H,33,35)/t21-,22-
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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