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BDBM352172 4-{2-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}amino)methyl]quinolin-7-yl}-3-fluoro-1-methylpyridin-2(1H)-one::US9802918, Example 107

SMILES: C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc2ccc(cc2n1)-c1ccn(C)c(=O)c1F

InChI Key: InChIKey=LGXQXHVDQHOKQU-YGNPSHASSA-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 = 352172   
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))
BDBM352172
PNG
(4-{2-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpi...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc2ccc(cc2n1)-c1ccn(C)c(=O)c1F
Show InChI InChI=1S/C27H29FN6O2/c1-16-14-34(15-21(29)26(16)35)24-7-9-30-13-23(24)31-12-19-6-5-17-3-4-18(11-22(17)32-19)20-8-10-33(2)27(36)25(20)28/h3-11,13,16,21,26,31,35H,12,14-15,29H2,1-2H3/t16-,21+,26+/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))
BDBM352172
PNG
(4-{2-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpi...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc2ccc(cc2n1)-c1ccn(C)c(=O)c1F
Show InChI InChI=1S/C27H29FN6O2/c1-16-14-34(15-21(29)26(16)35)24-7-9-30-13-23(24)31-12-19-6-5-17-3-4-18(11-22(17)32-19)20-8-10-33(2)27(36)25(20)28/h3-11,13,16,21,26,31,35H,12,14-15,29H2,1-2H3/t16-,21+,26+/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))
BDBM352172
PNG
(4-{2-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpi...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc2ccc(cc2n1)-c1ccn(C)c(=O)c1F
Show InChI InChI=1S/C27H29FN6O2/c1-16-14-34(15-21(29)26(16)35)24-7-9-30-13-23(24)31-12-19-6-5-17-3-4-18(11-22(17)32-19)20-8-10-33(2)27(36)25(20)28/h3-11,13,16,21,26,31,35H,12,14-15,29H2,1-2H3/t16-,21+,26+/m0/s1
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