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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-1' and Ligand = 'BDBM110890'   
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))
BDBM110890
PNG
(US8614206, 441 | US8614206, 475 | US8614206, 476)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2ccncc2F)cnn1C
Show InChI InChI=1S/C21H27FN8O2S/c1-21(32-3)8-12(23)5-7-30(11-21)20-15(10-26-29(20)2)27-18(31)16-17(24)33-19(28-16)13-4-6-25-9-14(13)22/h4,6,9-10,12H,5,7-8,11,23-24H2,1-3H3,(H,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.0130n/an/an/an/an/an/a7.2n/a



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 US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110890
PNG
(US8614206, 441 | US8614206, 475 | US8614206, 476)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2ccncc2F)cnn1C
Show InChI InChI=1S/C21H27FN8O2S/c1-21(32-3)8-12(23)5-7-30(11-21)20-15(10-26-29(20)2)27-18(31)16-17(24)33-19(28-16)13-4-6-25-9-14(13)22/h4,6,9-10,12H,5,7-8,11,23-24H2,1-3H3,(H,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.0270n/an/an/an/an/an/a7.2n/a



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 US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110890
PNG
(US8614206, 441 | US8614206, 475 | US8614206, 476)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2ccncc2F)cnn1C
Show InChI InChI=1S/C21H27FN8O2S/c1-21(32-3)8-12(23)5-7-30(11-21)20-15(10-26-29(20)2)27-18(31)16-17(24)33-19(28-16)13-4-6-25-9-14(13)22/h4,6,9-10,12H,5,7-8,11,23-24H2,1-3H3,(H,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.212n/an/an/an/an/an/a7.2n/a



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 US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair