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BDBM126513 US8778951, 324

SMILES: Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCO2)ncc1Cl

InChI Key: InChIKey=MMZDKCYPVDPHLE-ORXZLVCASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126513   
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))		BDBM126513
PNG
(US8778951, 324)
Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCO2)ncc1Cl |r,wU:19.20,wD:22.27,(-4.96,-4.48,;-4.96,-2.94,;-6.3,-2.17,;-6.3,-.63,;-4.96,.14,;-3.63,-.63,;-3.63,-2.17,;-2.29,-2.94,;-.96,-2.17,;.37,-2.94,;.37,-4.48,;1.71,-5.25,;3.04,-4.48,;3.04,-2.94,;1.71,-2.17,;-4.96,1.68,;-3.63,2.45,;-3.63,3.99,;-2.29,4.76,;-.96,3.99,;.37,4.76,;1.71,3.99,;1.71,2.45,;.37,1.68,;-.96,2.45,;3.04,1.68,;4.37,2.45,;5.71,1.68,;6.11,.19,;7.59,.59,;7.2,2.07,;-4.96,4.76,;-6.3,3.99,;-6.3,2.45,;-7.63,1.68,)|
Show InChI InChI=1S/C26H35ClFN5O2/c27-22-16-30-25(32-19-3-1-18(2-4-19)29-15-20-9-12-35-20)13-21(22)24-6-5-23(28)26(33-24)31-14-17-7-10-34-11-8-17/h5-6,13,16-20,29H,1-4,7-12,14-15H2,(H,30,32)(H,31,33)/t18-,19-,20?
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Similars
US Patent
n/an/a 0.00200n/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