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BDBM191117 US9181258, 112

SMILES: NCC[C@H]1CNC(=O)c2cc(c(-c3ccc4OCOc4c3)n12)-c1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=XSIPCMUZGAGULD-HNNXBMFYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 191117   
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-2


(Homo sapiens (Human))
BDBM191117
PNG
(US9181258, 112)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc4OCOc4c3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)33-16-3-1-2-13(8-16)17-10-18-22(30)28-11-15(6-7-27)29(18)21(17)14-4-5-19-20(9-14)32-12-31-19/h1-5,8-10,15H,6-7,11-12,27H2,(H,28,30)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191117
PNG
(US9181258, 112)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc4OCOc4c3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)33-16-3-1-2-13(8-16)17-10-18-22(30)28-11-15(6-7-27)29(18)21(17)14-4-5-19-20(9-14)32-12-31-19/h1-5,8-10,15H,6-7,11-12,27H2,(H,28,30)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 6n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair