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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pim-1' and Ligand = 'BDBM106804'   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106804
PNG
(US8592455, 4)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(O)cc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,1.93,;-4.67,1.15,;-4.67,-.38,;-3.33,-1.15,;-2,-.38,;-2,1.15,;-.67,1.93,;-3.33,1.93,;-3.33,3.47,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C24H23F3N4O3/c1-11-6-12(7-18(28)23(11)33)14-4-5-29-10-20(14)31-24(34)19-3-2-15(25)22(30-19)21-16(26)8-13(32)9-17(21)27/h2-5,8-12,18,23,32-33H,6-7,28H2,1H3,(H,31,34)/t11-,12+,18+,23+/m0/s1
PDB
MMDB

KEGG

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Similars

US Patent
n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair