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BDBM126528 US8778951, 339

SMILES: COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1

InChI Key: InChIKey=IWJDOAOJIGWZIC-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126528   
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))		BDBM126528
PNG
(US8778951, 339)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
Show InChI InChI=1S/C26H34ClFN6O2/c1-35-13-10-30-18-2-4-19(5-3-18)33-24-14-20(21(27)15-31-24)23-7-6-22(28)25(34-23)32-17-26(16-29)8-11-36-12-9-26/h6-7,14-15,18-19,30H,2-5,8-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
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Similars
US Patent
n/an/a 0.000170n/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