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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM144331'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM144331
PNG
(US8969336, 575)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C |r,wU:25.27,wD:22.23,(-12.05,4.35,;-10.72,3.58,;-9.34,4.32,;-8,3.55,;-8,2.01,;-9.34,1.24,;-10.67,2.01,;-6.67,1.24,;-6.67,-.3,;-5.33,-1.07,;-4,-.3,;-4,1.24,;-5.33,2.01,;-2.67,-1.07,;-1.33,-.3,;,-1.07,;,-2.61,;1.33,-3.38,;2.67,-2.61,;4,-3.38,;5.33,-2.61,;6.67,-3.38,;8,-2.61,;9.34,-3.38,;10.67,-2.61,;10.67,-1.07,;12,-.3,;9.34,-.3,;8,-1.07,;5.33,-1.07,;6.67,-.3,;4,-.3,;2.67,-1.07,;1.9,.27,;2.67,1.6,;.36,.27,;-1.33,-3.38,;-2.72,-2.63,;-4.05,-3.4,)|
Show InChI InChI=1S/C28H41ClN8O2/c1-18-17-20(5-8-23(18)37-11-9-21(10-12-37)36-15-13-35(2)14-16-36)32-27-24(26(30)39)33-25(29)28(34-27)31-19-3-6-22(38)7-4-19/h5,8,17,19,21-22,38H,3-4,6-7,9-16H2,1-2H3,(H2,30,39)(H2,31,32,34)/t19-,22-
PDB

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Similars

US Patent
n/an/a 0.720n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...


US Patent US8969336 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9GZW
More data for this
Ligand-Target Pair