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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 = 'BDBM50510172'   
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))
BDBM50510172
PNG
(CHEMBL4527736)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of His tagged human recombinant PIM1 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510172
PNG
(CHEMBL4527736)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 283n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair