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BDBM50123310 1,3-Diethyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione::CHEMBL359346

SMILES: [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6])c3ccccc23)-[#6]-1=O

InChI Key: InChIKey=MZHYJFROIIBVCC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123310   
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
Tumor necrosis factor receptor superfamily member 1A


(Homo sapiens (Human))
BDBM50123310
PNG
(1,3-Diethyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-...)
Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6])c3ccccc23)-[#6]-1=O
Show InChI InChI=1S/C18H19N3O2S/c1-4-20-16(22)14(17(23)21(5-2)18(20)24)10-12-11-19(3)15-9-7-6-8-13(12)15/h6-11H,4-5H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair