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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 = 'BDBM151972'   
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))
BDBM151972
PNG
(US8987457, 166)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.13,1.0,5.5,7.8,(-.67,1.15,;-2,.38,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-2,5,;-.67,5.78,;.67,6.54,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-3.33,-6.54,;-2,-5.78,;-2,-4.23,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.77,;3.33,.38,;2,1.15,;.67,.38,;2,2.69,;3.33,3.47,;4.67,2.69,;4.67,1.15,;6,.38,)|
Show InChI InChI=1S/C27H27F3N6O2/c1-14-10-15(11-21(33)26(14)38-9-3-7-31)16-6-8-34-13-22(16)35-27(37)25-20(32)12-19(30)24(36-25)23-17(28)4-2-5-18(23)29/h2,4-6,8,12-15,21,26H,3,9-11,32-33H2,1H3,(H,35,37)/t14-,15+,21+,26-/m0/s1
PDB
MMDB

KEGG

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PC cid
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Similars

US Patent
n/an/a 0.0200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ...


US Patent US8987457 (2015)


BindingDB Entry DOI: 10.7270/Q2765D2M
More data for this
Ligand-Target Pair