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PDB code 4WRS

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (273/273 = 100%)
(Homo sapiens (Human))
BDBM50061168
PNG
(CHEMBL3393706)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1
Show InChI InChI=1S/C24H21F2N5O/c25-16-2-1-3-17(26)22(16)14-4-5-18-15(10-14)23(31-30-18)19-11-28-13-21(29-19)32-20-12-27-9-8-24(20)6-7-24/h1-5,10-11,13,20,27H,6-9,12H2,(H,30,31)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant Pim-1 (unknown origin) assessed as phosphorylation of biotinylated-BAD peptide at Serine 112 residue


Bioorg Med Chem Lett 25: 834-40 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.068
BindingDB Entry DOI: 10.7270/Q2XP76KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (273/273 = 100%)
(Homo sapiens (Human))
BDBM50061178
PNG
(CHEMBL3393704)
Show SMILES Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(OC4CNCCC44CC4)n3)c2c1
Show InChI InChI=1S/C24H21F2N5O/c25-16-2-1-3-17(26)22(16)14-4-5-18-15(10-14)23(31-30-18)19-11-28-13-21(29-19)32-20-12-27-9-8-24(20)6-7-24/h1-5,10-11,13,20,27H,6-9,12H2,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant Pim-1 (unknown origin) assessed as phosphorylation of biotinylated-BAD peptide at Serine 112 residue


Bioorg Med Chem Lett 25: 834-40 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.068
BindingDB Entry DOI: 10.7270/Q2XP76KN
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