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SMILES: CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12

InChI Key: InChIKey=FNPBMTZGHSTSCD-UHFFFAOYSA-N

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 = 430031   
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
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM430031
PNG
(US10538528, Compound 13)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-13-7-19(8-14-37)25-22(30-10-15-36-11-2-3-12-36)5-4-21(34-25)20-6-9-31-23(29)16-20/h4-6,9,16-19,30H,2-3,7-8,10-15H2,1H3,(H,32,33,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were con...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM430031
PNG
(US10538528, Compound 13)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-13-7-19(8-14-37)25-22(30-10-15-36-11-2-3-12-36)5-4-21(34-25)20-6-9-31-23(29)16-20/h4-6,9,16-19,30H,2-3,7-8,10-15H2,1H3,(H,32,33,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair
Ryanodine receptor 1 [4317-4329]


()
BDBM430031
PNG
(US10538528, Compound 13)
Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12
Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-13-7-19(8-14-37)25-22(30-10-15-36-11-2-3-12-36)5-4-21(34-25)20-6-9-31-23(29)16-20/h4-6,9,16-19,30H,2-3,7-8,10-15H2,1H3,(H,32,33,35,38)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Taiho Pahrmaceutical Co., Ltd.

US Patent


Assay Description
Rsk1: Inhibitory activity of the compound according to the present invention on Rsk1 kinase activity in vitro was assayed using the QSS Assist FP ass...


US Patent US10538528 (2020)


BindingDB Entry DOI: 10.7270/Q2MK6G95
More data for this
Ligand-Target Pair