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PDB code 3BGQ

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

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26668
PNG
(CHEMBL494360 | N-cyclohexyl-3-[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12
Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
11n/an/an/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)


Article DOI: 10.1016/j.bmcl.2009.04.061
BindingDB Entry DOI: 10.7270/Q21J99PJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (313/313 = 100%)
(Homo sapiens (Human))
BDBM26668
PNG
(CHEMBL494360 | N-cyclohexyl-3-[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12
Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
11 -46.2n/an/an/an/an/a7.630



Vertex



Assay Description
A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptor substrate.


J Med Chem 51: 1972-5 (2008)


Article DOI: 10.1021/jm701248t
BindingDB Entry DOI: 10.7270/Q2HM56RQ
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