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PDB code 2C3I

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 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

  (312/313 > 99%)
(Homo sapiens (Human))
BDBM11835
PNG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Show SMILES CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 61n/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

  (312/313 > 99%)
(Homo sapiens (Human))
BDBM11835
PNG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Show SMILES CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Oxford University

Curated by ChEMBL


Assay Description
Inhibitory activity against PIM1


J Med Chem 48: 7604-14 (2005)


Article DOI: 10.1021/jm0504858
BindingDB Entry DOI: 10.7270/Q2Q52R4H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (312/313 > 99%)
(Homo sapiens (Human))
BDBM11835
PNG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Show SMILES CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 120n/an/an/an/a7.525



University Hospital Basel



Assay Description
Phosphorylation reactions were monitored using a coupled-enzyme assay in which ADP production was coupled to NADH oxidation by pyruvate kinase and la...


Cancer Res 67: 6916-24 (2007)


Article DOI: 10.1158/0008-5472.CAN-07-0320
BindingDB Entry DOI: 10.7270/Q23X850Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM

  (312/313 > 99%)
(Homo sapiens (Human))
BDBM11835
PNG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Show SMILES CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
Show InChI InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/an/a 25n/an/an/an/an/a



Oxford University

Curated by ChEMBL


Assay Description
Binding affinity to non phosphorylated PIM1


J Med Chem 48: 7604-14 (2005)


Article DOI: 10.1021/jm0504858
BindingDB Entry DOI: 10.7270/Q2Q52R4H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM11835
JPEG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Serine/threonine-protein kinase PIM

(Homo sapiens (Human))
DrugBank
PC cid
PC sid
PDB
GoogleScholar
PDB
-41.0-19.5-21.77.607.510



Oxford University





J Med Chem 48: 7604-14 (2005)


Similar Ligands in BindingDB*

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM11835
JPEG
(1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-a]py...)
Serine/threonine-protein kinase PIM

(Homo sapiens (Human))
DrugBank
PC cid
PC sid
PDB
GoogleScholar
PDB
-41.0-19.5-21.77.607.510



Oxford University





J Med Chem 48: 7604-14 (2005)

Search BindingMOAD for More Affinity Data:

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