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BDBM397423 US9987278, Compound Reference 33

SMILES: CCCNc1nc(Nc2cccc(c2)C#N)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C

InChI Key: InChIKey=JEBCEIXBGGJFEL-QMUTUGEISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 397423   
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
FLT3(D835Y)


(Homo sapiens (Human))		BDBM397423
PNG
(US9987278, Compound Reference 33)
Show SMILES CCCNc1nc(Nc2cccc(c2)C#N)ncc1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C |r|
Show InChI InChI=1S/C29H38N8O2/c1-6-16-31-27-24(21-33-29(35-27)34-25-14-10-12-23(19-25)20-30)13-8-7-9-17-32-28(39)22(2)37(5)26(38)15-11-18-36(3)4/h10-12,14-15,19,21-22H,6-7,9,16-18H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b15-11+/t22-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Quizartinib (Ambit Biosciences Corporation) was used as Reference Compound 1.6 μL (0.75 ng) of a mutant FLT3 protein (FLT3 D835Y, Life Technolog...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q2J38VZJ
More data for this
Ligand-Target Pair