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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 = 'BDBM151855'   
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))
BDBM151855
PNG
(US8987457, 49)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1cncn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.14,1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;4.67,3.44,;4.67,1.9,;6,1.13,)|
Show InChI InChI=1S/C26H24F3N7O/c1-14-9-15(10-20(30)25(14)36-13-32-12-33-36)16-7-8-31-11-22(16)35-26(37)21-6-5-19(29)24(34-21)23-17(27)3-2-4-18(23)28/h2-8,11-15,20,25H,9-10,30H2,1H3,(H,35,37)/t14-,15+,20+,25-/m0/s1
PDB
MMDB

KEGG

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PC cid
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Similars

US Patent
n/an/a 0.0300n/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