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PDB code 2OBJ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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KEGG

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PubMed
n/an/a 50n/an/an/an/a7.523



Valeant Pharmaceuticals Research and Development



Assay Description
PIM-1 kinase activity was evaluated using calf thymus histones as the substrate in a 96-well filter plate format. After incubation, the plate was was...


Bioorg Med Chem Lett 17: 1679-83 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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KEGG

UniProtKB/SwissProt

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n/an/a 50n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Eur J Med Chem 45: 90-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 50n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive inhibition of PIM1 in presence of ATP


J Med Chem 55: 8199-208 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
DrugBank
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotomet...


Bioorg Med Chem Lett 19: 3019-22 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output