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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pim-1' and Ligand = 'BDBM50391945'   
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-1


(Homo sapiens (Human))
BDBM50391945
PNG
(CHEMBL2147770)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2cccnc12 |w:19.22|
Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-15-21(27)19(11-14-12-25-17-3-2-6-24-20(14)17)29-22(15)16(18)13-26-9-7-23-8-10-26/h2-6,11-12,23,25H,7-10,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 447n/an/an/an/an/an/a



Cresset

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


J Med Chem 62: 3036-3050 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01925
BindingDB Entry DOI: 10.7270/Q29Z9851
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50391945
PNG
(CHEMBL2147770)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2cccnc12 |w:19.22|
Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-15-21(27)19(11-14-12-25-17-3-2-6-24-20(14)17)29-22(15)16(18)13-26-9-7-23-8-10-26/h2-6,11-12,23,25H,7-10,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 447n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair