BindingDB logo
myBDB logout

BDBM352093 2-(4-{6-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}amino)methyl]-3-fluoropyridin-2-yl}-3,5-difluorophenyl)-2-methylpropanenitrile::US9802918, Example 24

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

InChI Key: InChIKey=RTRSAFXGRHTIIK-IMIOKFMBNA-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 = 352093   
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))
BDBM352093
PNG
(2-(4-{6-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C(C)(C)C#N
Show InChI InChI=1/C27H29F3N6O/c1-15-12-36(13-21(32)26(15)37)23-6-7-33-11-22(23)34-10-17-4-5-18(28)25(35-17)24-19(29)8-16(9-20(24)30)27(2,3)14-31/h4-9,11,15,21,26,34,37H,10,12-13,32H2,1-3H3/t15-,21+,26+/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))
BDBM352093
PNG
(2-(4-{6-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C(C)(C)C#N
Show InChI InChI=1/C27H29F3N6O/c1-15-12-36(13-21(32)26(15)37)23-6-7-33-11-22(23)34-10-17-4-5-18(28)25(35-17)24-19(29)8-16(9-20(24)30)27(2,3)14-31/h4-9,11,15,21,26,34,37H,10,12-13,32H2,1-3H3/t15-,21+,26+/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))
BDBM352093
PNG
(2-(4-{6-[({4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methy...)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C(C)(C)C#N
Show InChI InChI=1/C27H29F3N6O/c1-15-12-36(13-21(32)26(15)37)23-6-7-33-11-22(23)34-10-17-4-5-18(28)25(35-17)24-19(29)8-16(9-20(24)30)27(2,3)14-31/h4-9,11,15,21,26,34,37H,10,12-13,32H2,1-3H3/t15-,21+,26+/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