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PDB code 4WT6

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))
BDBM50061611
PNG
(CHEMBL3394069 | US9321756, 16)
Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C20H20N6S/c21-20-26-25-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(24-17)23-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,26)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant PIM1 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...


Bioorg Med Chem Lett 25: 775-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.091
BindingDB Entry DOI: 10.7270/Q2WQ05G8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (273/273 = 100%)
(Homo sapiens (Human))
BDBM50061611
PNG
(CHEMBL3394069 | US9321756, 16)
Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C20H20N6S/c21-20-26-25-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(24-17)23-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,26)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human U2OS cells assessed as phosphorylation of BAD


Bioorg Med Chem Lett 25: 775-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.091
BindingDB Entry DOI: 10.7270/Q2WQ05G8
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