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BDBM397421 US9987278, Compound Reference 31

SMILES: CCCNc1nc(Nc2ccc(cc2)C(N)=O)ncc1C#Cc1cccc(NCCNC(=O)\C=C\CN(C)C)c1

InChI Key: InChIKey=VWWLYTLJZDDVDN-RMKNXTFCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 397421   
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))		BDBM397421
PNG
(US9987278, Compound Reference 31)
Show SMILES CCCNc1nc(Nc2ccc(cc2)C(N)=O)ncc1C#Cc1cccc(NCCNC(=O)\C=C\CN(C)C)c1
Show InChI InChI=1S/C30H36N8O2/c1-4-16-34-29-24(21-35-30(37-29)36-25-14-12-23(13-15-25)28(31)40)11-10-22-7-5-8-26(20-22)32-17-18-33-27(39)9-6-19-38(2)3/h5-9,12-15,20-21,32H,4,16-19H2,1-3H3,(H2,31,40)(H,33,39)(H2,34,35,36,37)/b9-6+
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