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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pim-1' and Ligand = 'BDBM106899'   
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))
BDBM106899
PNG
(US8592455, 99)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.7,1.0,(-6,2.69,;-4.67,1.93,;-3.33,2.69,;-2,1.93,;-2,.38,;-3.33,-.38,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O/c24-16-5-2-6-17(25)21(16)22-18(26)7-8-19(29-22)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(27)11-13/h2,5-10,12-14H,1,3-4,11,27H2,(H,30,31)/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay


J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106899
PNG
(US8592455, 99)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.7,1.0,(-6,2.69,;-4.67,1.93,;-3.33,2.69,;-2,1.93,;-2,.38,;-3.33,-.38,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O/c24-16-5-2-6-17(25)21(16)22-18(26)7-8-19(29-22)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(27)11-13/h2,5-10,12-14H,1,3-4,11,27H2,(H,30,31)/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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