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3 similar compounds to monomer 110712

Compile data set for download or QSAR
Wt: 449.5
BDBM110694
Wt: 485.5
BDBM110711
Wt: 449.5
BDBM110715

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 110694,110711,110715   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM110711
PNG
(US8614206, 166)
Show SMILES CN=C(C(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C=N)N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/C20H23F4N7OS/c1-28-17(31-6-5-10(26)7-20(23,24)9-31)13(8-25)29-18(32)15-16(27)33-19(30-15)14-11(21)3-2-4-12(14)22/h2-4,8,10,13,25H,5-7,9,26-27H2,1H3,(H,29,32)/b25-8?,28-17-/t10-,13?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.00600n/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))
BDBM110715
PNG
(US8614206, 230)
Show SMILES CN=C(C(NC(=O)c1nc(sc1N)-c1ccccc1F)C=N)N1CC[C@@H](N)[C@H](F)CC1
Show InChI InChI=1/C20H25F2N7OS/c1-26-18(29-8-6-13(22)14(24)7-9-29)15(10-23)27-19(30)16-17(25)31-20(28-16)11-4-2-3-5-12(11)21/h2-5,10,13-15,23H,6-9,24-25H2,1H3,(H,27,30)/b23-10?,26-18-/t13-,14-,15?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.240n/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))
BDBM110694
PNG
(US8614206, 114)
Show SMILES CC[C@@H]1CNCCN1C(=NC)C(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C=N
Show InChI InChI=1/C20H25F2N7OS/c1-3-11-10-26-7-8-29(11)18(25-2)14(9-23)27-19(30)16-17(24)31-20(28-16)15-12(21)5-4-6-13(15)22/h4-6,9,11,14,23,26H,3,7-8,10,24H2,1-2H3,(H,27,30)/b23-9?,25-18-/t11-,14?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.476n/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