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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 = 'BDBM151980'   
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))
BDBM151980
PNG
(US8987457, 174)
Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:6.6,11.12,5.4,(.67,4.23,;-.67,3.47,;-2,4.23,;-2,5.78,;-3.33,3.47,;-3.33,1.93,;-2,1.15,;-.67,1.93,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.15,;-6,1.93,;-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,;2,-1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;4.67,-2.69,;3.33,-3.46,;3.33,-5,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;4.67,3.47,;4.67,1.93,;6,1.15,)|
Show InChI InChI=1S/C25H26F3N7O3/c1-12-10-35(11-17(30)21(12)34-25(37)38-2)19-6-7-31-9-18(19)32-24(36)23-16(29)8-15(28)22(33-23)20-13(26)4-3-5-14(20)27/h3-9,12,17,21H,10-11,29-30H2,1-2H3,(H,32,36)(H,34,37)/t12-,17+,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

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