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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 = 'BDBM50510166'   
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))
BDBM50510166
PNG
(CHEMBL4517926)
Show SMILES CCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C25H30N8O/c1-2-12-32-13-14-34-23-21(32)16-28-33-24(30-31-25(23)33)20-7-6-18-4-3-5-19(22(18)29-20)27-15-17-8-10-26-11-9-17/h3-7,16-17,26-27H,2,8-15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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))
BDBM50510166
PNG
(CHEMBL4517926)
Show SMILES CCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C25H30N8O/c1-2-12-32-13-14-34-23-21(32)16-28-33-24(30-31-25(23)33)20-7-6-18-4-3-5-19(22(18)29-20)27-15-17-8-10-26-11-9-17/h3-7,16-17,26-27H,2,8-15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 800n/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