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BDBM375250 US10253018, Example 16

SMILES: COc1nc2cc(F)c(cc2nc1N1CCCCC1)C(=O)Nc1cccc(n1)-c1nnnn1C(C)C

InChI Key: InChIKey=LFTQKIBCLSZRAG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 375250   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM375250
PNG
(US10253018, Example 16)
Show SMILES COc1nc2cc(F)c(cc2nc1N1CCCCC1)C(=O)Nc1cccc(n1)-c1nnnn1C(C)C
Show InChI InChI=1S/C24H26FN9O2/c1-14(2)34-21(30-31-32-34)17-8-7-9-20(26-17)29-23(35)15-12-18-19(13-16(15)25)28-24(36-3)22(27-18)33-10-5-4-6-11-33/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,26,29,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Enanta Pharmaceuticals Inc

US Patent


Assay Description
ASK1 was purchased from Thermofisher (Catalogue # PV4011), ATP was purchased from Sigma (Catalogue # A7699), HTRF® KinEASE™ Assay System was obtained...


US Patent US10253018 (2019)


BindingDB Entry DOI: 10.7270/Q2TX3HPP
More data for this
Ligand-Target Pair