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BDBM126523 US8778951, 334

SMILES: CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(C)CCOCC3)n2)OCCO1

InChI Key: InChIKey=VAWGLAQKVMITLE-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126523   
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))		BDBM126523
PNG
(US8778951, 334)
Show SMILES CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(C)CCOCC3)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-1.15,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
Show InChI InChI=1S/C27H37ClFN5O3/c1-26(9-11-35-12-10-26)17-31-25-22(29)7-8-23(33-25)20-15-24(30-16-21(20)28)32-18-3-5-19(6-4-18)34-27(2)36-13-14-37-27/h7-8,15-16,18-19,34H,3-6,9-14,17H2,1-2H3,(H,30,32)(H,31,33)/t18-,19-
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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