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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pim-1' and Ligand = 'BDBM110726'   
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))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.00200n/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))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.00800n/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))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.00900n/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))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.0511n/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