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BDBM126554 US8778951, 365

SMILES: COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(C)CCS(=O)(=O)CC2)n1

InChI Key: InChIKey=YKTIFDFBLLCBJP-NJDAHSKKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126554   
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))		BDBM126554
PNG
(US8778951, 365)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(C)CCS(=O)(=O)CC2)n1 |r,wU:9.12,wD:6.5,3.3,(8,3.36,;6.67,4.13,;5.33,3.36,;4,4.13,;4,5.67,;2.67,3.36,;1.33,4.13,;1.33,5.67,;,6.44,;-1.33,5.67,;-1.33,4.13,;,3.36,;-2.67,6.44,;-4,5.67,;-4,4.13,;-5.33,3.36,;-6.67,4.13,;-8,3.36,;-6.67,5.67,;-5.33,6.44,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-2.67,-2.8,;-1.33,-3.57,;-1.33,-2.03,;-1.33,-5.11,;,-5.88,;1.33,-5.11,;2.87,-5.11,;2.1,-6.44,;1.33,-3.57,;,-2.8,;-4,1.05,)|
Show InChI InChI=1S/C27H40ClN5O3S/c1-19(17-36-3)31-20-7-9-21(10-8-20)32-26-15-22(23(28)16-29-26)24-5-4-6-25(33-24)30-18-27(2)11-13-37(34,35)14-12-27/h4-6,15-16,19-21,31H,7-14,17-18H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21-/m1/s1
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Similars
US Patent
n/an/a 0.000700n/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