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BDBM430064 US10538528, Compound 12

SMILES: CCNCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1

InChI Key: InChIKey=UQROQVVPXLGCTI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 430064   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM430064
PNG
(US10538528, Compound 12)
Show SMILES CCNCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1
Show InChI InChI=1S/C27H33FN8O/c1-4-29-9-10-31-21-6-5-20(18-13-19(28)15-30-14-18)34-23(21)17-7-11-36(12-8-17)25-22-24(32-16-33-25)35-26(37)27(22,2)3/h5-6,13-17,29,31H,4,7-12H2,1-3H3,(H,32,33,35,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.300n/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]


()
BDBM430064
PNG
(US10538528, Compound 12)
Show SMILES CCNCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1
Show InChI InChI=1S/C27H33FN8O/c1-4-29-9-10-31-21-6-5-20(18-13-19(28)15-30-14-18)34-23(21)17-7-11-36(12-8-17)25-22-24(32-16-33-25)35-26(37)27(22,2)3/h5-6,13-17,29,31H,4,7-12H2,1-3H3,(H,32,33,35,37)
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.80n/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