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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pim-3' and Ligand = 'BDBM249028'   
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-3


(Homo sapiens (Human))
BDBM249028
PNG
(US9434725, 259 | US9434725, 271 | US9434725, 272)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1(F)F
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
0.0235 -60.7n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249028
PNG
(US9434725, 259 | US9434725, 271 | US9434725, 272)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1(F)F
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
0.0250 -60.5n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249028
PNG
(US9434725, 259 | US9434725, 271 | US9434725, 272)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1(F)F
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
0.210 -55.2n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair