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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 = 'BDBM50364794'   
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))
BDBM50364794
PNG
(CHEMBL1952132)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:4.7,wD:1.0,(29.89,-28.84,;29.9,-27.3,;31.24,-26.54,;31.24,-24.99,;29.91,-24.22,;28.57,-24.99,;28.57,-26.53,;29.92,-22.68,;31.25,-21.91,;31.25,-20.37,;32.58,-19.6,;33.91,-20.36,;35.39,-19.88,;36.3,-21.14,;35.39,-22.39,;36.15,-23.72,;35.37,-25.05,;36.12,-26.39,;37.66,-26.4,;38.44,-25.07,;39.98,-25.07,;40.75,-26.41,;42.29,-26.41,;39.97,-27.74,;41.51,-27.73,;37.68,-23.73,;33.92,-21.91,;32.58,-22.68,)|
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364794
PNG
(CHEMBL1952132)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:4.7,wD:1.0,(29.89,-28.84,;29.9,-27.3,;31.24,-26.54,;31.24,-24.99,;29.91,-24.22,;28.57,-24.99,;28.57,-26.53,;29.92,-22.68,;31.25,-21.91,;31.25,-20.37,;32.58,-19.6,;33.91,-20.36,;35.39,-19.88,;36.3,-21.14,;35.39,-22.39,;36.15,-23.72,;35.37,-25.05,;36.12,-26.39,;37.66,-26.4,;38.44,-25.07,;39.98,-25.07,;40.75,-26.41,;42.29,-26.41,;39.97,-27.74,;41.51,-27.73,;37.68,-23.73,;33.92,-21.91,;32.58,-22.68,)|
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 405n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair