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BDBM50212258 GS-4997::SELONSERTIB::Selonsertib

SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1

InChI Key: InChIKey=YIDDLAAKOYYGJG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212258   
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
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212258
PNG
(GS-4997 | SELONSERTIB | Selonsertib)
Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1
Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
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KEGG

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PC sid
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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair