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SMILES: CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N(C)C)ncc2c1=O

InChI Key: InChIKey=HOFYXPQFSOEASK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 462344   
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
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462344
PNG
(US10766902, Example 58)
Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N(C)C)ncc2c1=O
Show InChI InChI=1S/C23H28N8O2S/c1-15(2)30-22(32)18-14-24-23(25-16-10-12-17(13-11-16)29(3)4)27-21(18)31(30)20-9-7-8-19(26-20)28-34(5,6)33/h7-15H,1-6H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair