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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 = 'BDBM50510168'   
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))
BDBM50510168
PNG
(CHEMBL4460019)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3(F)CCNCC3)c2c1
Show InChI InChI=1S/C23H25FN8O/c1-31-10-11-33-19-18(31)13-28-32-21(29-30-22(19)32)16-3-2-15-4-7-26-20(17(15)12-16)27-14-23(24)5-8-25-9-6-23/h2-4,7,12-13,25H,5-6,8-11,14H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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))
BDBM50510168
PNG
(CHEMBL4460019)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3(F)CCNCC3)c2c1
Show InChI InChI=1S/C23H25FN8O/c1-31-10-11-33-19-18(31)13-28-32-21(29-30-22(19)32)16-3-2-15-4-7-26-20(17(15)12-16)27-14-23(24)5-8-25-9-6-23/h2-4,7,12-13,25H,5-6,8-11,14H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/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