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BDBM50453234 CHEMBL4213717

SMILES: N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1

InChI Key: InChIKey=KHKTWLOLJRTQKP-IYARVYRRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453234   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50453234
PNG
(CHEMBL4213717)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.34,;24.78,-12.34,;24.01,-11,;22.47,-11,;21.7,-12.34,;22.47,-13.67,;24.01,-13.67,;20.16,-12.34,;19.39,-13.67,;20.16,-15,;19.39,-16.34,;20.16,-17.67,;21.7,-17.67,;22.47,-16.34,;24.01,-16.34,;24.78,-17.67,;24.01,-19,;22.47,-19,;26.32,-17.67,;27.09,-16.34,;28.63,-16.34,;29.4,-17.67,;28.63,-19,;27.09,-19,;17.85,-16.34,;16.82,-17.48,;15.41,-16.85,;15.58,-15.32,;14.43,-14.29,;12.93,-14.61,;12.16,-13.28,;13.19,-12.13,;14.59,-12.76,;17.08,-15,;17.85,-13.67,)|
Show InChI InChI=1S/C25H35N9O/c26-17-5-7-18(8-6-17)30-25-31-23(22-24(32-25)34(16-28-22)20-3-1-2-4-20)29-19-9-10-21(27-15-19)33-11-13-35-14-12-33/h9-10,15-18,20H,1-8,11-14,26H2,(H2,29,30,31,32)/t17-,18-
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PC cid
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Article
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n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...

J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair