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BDBM352031 3-(4-{6-[({4-[(3S,5R)-3-Amino-5-methylpiperidin-1-yl]pyridin-3-yl}amino)methyl]-3-fluoropyridin-2-yl}-3,5-difluorophenyl)tetrahydrofuran-3-ol::US9802918, Example 4

SMILES: C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOC1

InChI Key: InChIKey=QYDSPQFESLIOCH-YHXGJVOKNA-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 = 352031   
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))
BDBM352031
PNG
(3-(4-{6-[({4-[(3S,5R)-3-Amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOC1
Show InChI InChI=1/C27H30F3N5O2/c1-16-8-18(31)14-35(13-16)24-4-6-32-12-23(24)33-11-19-2-3-20(28)26(34-19)25-21(29)9-17(10-22(25)30)27(36)5-7-37-15-27/h2-4,6,9-10,12,16,18,33,36H,5,7-8,11,13-15,31H2,1H3/t16-,18+,27?/s2
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))
BDBM352031
PNG
(3-(4-{6-[({4-[(3S,5R)-3-Amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOC1
Show InChI InChI=1/C27H30F3N5O2/c1-16-8-18(31)14-35(13-16)24-4-6-32-12-23(24)33-11-19-2-3-20(28)26(34-19)25-21(29)9-17(10-22(25)30)27(36)5-7-37-15-27/h2-4,6,9-10,12,16,18,33,36H,5,7-8,11,13-15,31H2,1H3/t16-,18+,27?/s2
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))
BDBM352031
PNG
(3-(4-{6-[({4-[(3S,5R)-3-Amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOC1
Show InChI InChI=1/C27H30F3N5O2/c1-16-8-18(31)14-35(13-16)24-4-6-32-12-23(24)33-11-19-2-3-20(28)26(34-19)25-21(29)9-17(10-22(25)30)27(36)5-7-37-15-27/h2-4,6,9-10,12,16,18,33,36H,5,7-8,11,13-15,31H2,1H3/t16-,18+,27?/s2
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/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