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BDBM352085 2-(6-((4-((3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperidin-1-yl)pyridin-3-ylamino)methyl)-3-fluoropyridin-2-yl)-3-fluorobenzonitrile::US9802918, Example 17

SMILES: C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cccc1C#N

InChI Key: InChIKey=OHQXWRMHTYKYDV-HGDLERNZSA-N

Data: 3 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 3 hits for monomerid = 352085   
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


(Homo sapiens (Human))
BDBM352085
PNG
(2-(6-((4-((3R,4R,5S)-3-Amino-4-hydroxy-5-methylpip...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C24H24F2N6O/c1-14-12-32(13-19(28)24(14)33)21-7-8-29-11-20(21)30-10-16-5-6-18(26)23(31-16)22-15(9-27)3-2-4-17(22)25/h2-8,11,14,19,24,30,33H,10,12-13,28H2,1H3/t14-,19+,24+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


US Patent US9802918 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2F47R9T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM352085
PNG
(2-(6-((4-((3R,4R,5S)-3-Amino-4-hydroxy-5-methylpip...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C24H24F2N6O/c1-14-12-32(13-19(28)24(14)33)21-7-8-29-11-20(21)30-10-16-5-6-18(26)23(31-16)22-15(9-27)3-2-4-17(22)25/h2-8,11,14,19,24,30,33H,10,12-13,28H2,1H3/t14-,19+,24+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


US Patent US9802918 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2F47R9T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM352085
PNG
(2-(6-((4-((3R,4R,5S)-3-Amino-4-hydroxy-5-methylpip...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C24H24F2N6O/c1-14-12-32(13-19(28)24(14)33)21-7-8-29-11-20(21)30-10-16-5-6-18(26)23(31-16)22-15(9-27)3-2-4-17(22)25/h2-8,11,14,19,24,30,33H,10,12-13,28H2,1H3/t14-,19+,24+/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


US Patent US9802918 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2F47R9T
More data for this
Ligand-Target Pair