BindingDB logo
myBDB logout

BDBM352075 1-(4-{6-[({4-[(3S,5R)-3-Amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}amino)methyl]-3-fluoropyridin-2-yl}-3,5-difluorophenyl)cyclobutanol::US9802918, Example 7

SMILES: N[C@H]1C[C@H](CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1)C(F)(F)F

InChI Key: InChIKey=XFQYLEIBSSKQLE-LQKAMQBPNA-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 = 352075   
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))
BDBM352075
PNG
(1-(4-{6-[({4-[(3S,5R)-3-Amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1)C(F)(F)F
Show InChI InChI=1/C27H27F6N5O/c28-19-3-2-18(37-25(19)24-20(29)9-15(10-21(24)30)26(39)5-1-6-26)11-36-22-12-35-7-4-23(22)38-13-16(27(31,32)33)8-17(34)14-38/h2-4,7,9-10,12,16-17,36,39H,1,5-6,8,11,13-14,34H2/t16-,17+/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))
BDBM352075
PNG
(1-(4-{6-[({4-[(3S,5R)-3-Amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1)C(F)(F)F
Show InChI InChI=1/C27H27F6N5O/c28-19-3-2-18(37-25(19)24-20(29)9-15(10-21(24)30)26(39)5-1-6-26)11-36-22-12-35-7-4-23(22)38-13-16(27(31,32)33)8-17(34)14-38/h2-4,7,9-10,12,16-17,36,39H,1,5-6,8,11,13-14,34H2/t16-,17+/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))
BDBM352075
PNG
(1-(4-{6-[({4-[(3S,5R)-3-Amino-5-(trifluoromethyl)p...)
Show SMILES N[C@H]1C[C@H](CN(C1)c1ccncc1NCc1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1)C(F)(F)F
Show InChI InChI=1/C27H27F6N5O/c28-19-3-2-18(37-25(19)24-20(29)9-15(10-21(24)30)26(39)5-1-6-26)11-36-22-12-35-7-4-23(22)38-13-16(27(31,32)33)8-17(34)14-38/h2-4,7,9-10,12,16-17,36,39H,1,5-6,8,11,13-14,34H2/t16-,17+/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