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BDBM352077 (3R,4R,5S)-3-Amino-1-(3-(((6-(2,6-difluoro-3-(1-hydroxycyclopropyl)phenyl)-5-fluoropyridin-2-yl)methyl)amino)pyridin-4-yl)-5-methylpiperidin-4-ol::US9802918, Example 9

SMILES: C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)ccc(c1F)C1(O)CC1

InChI Key: InChIKey=KHECHXOKWQLZKX-UMFMPAMGNA-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 = 352077   
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))
BDBM352077
PNG
((3R,4R,5S)-3-Amino-1-(3-(((6-(2,6-difluoro-3-(1-hy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)ccc(c1F)C1(O)CC1
Show InChI InChI=1/C26H28F3N5O2/c1-14-12-34(13-19(30)25(14)35)21-6-9-31-11-20(21)32-10-15-2-4-18(28)24(33-15)22-17(27)5-3-16(23(22)29)26(36)7-8-26/h2-6,9,11,14,19,25,32,35-36H,7-8,10,12-13,30H2,1H3/t14-,19+,25+/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))
BDBM352077
PNG
((3R,4R,5S)-3-Amino-1-(3-(((6-(2,6-difluoro-3-(1-hy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)ccc(c1F)C1(O)CC1
Show InChI InChI=1/C26H28F3N5O2/c1-14-12-34(13-19(30)25(14)35)21-6-9-31-11-20(21)32-10-15-2-4-18(28)24(33-15)22-17(27)5-3-16(23(22)29)26(36)7-8-26/h2-6,9,11,14,19,25,32,35-36H,7-8,10,12-13,30H2,1H3/t14-,19+,25+/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))
BDBM352077
PNG
((3R,4R,5S)-3-Amino-1-(3-(((6-(2,6-difluoro-3-(1-hy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)ccc(c1F)C1(O)CC1
Show InChI InChI=1/C26H28F3N5O2/c1-14-12-34(13-19(30)25(14)35)21-6-9-31-11-20(21)32-10-15-2-4-18(28)24(33-15)22-17(27)5-3-16(23(22)29)26(36)7-8-26/h2-6,9,11,14,19,25,32,35-36H,7-8,10,12-13,30H2,1H3/t14-,19+,25+/s2
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