BDBM40829 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone::1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone::1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone::MLS000057335::SMR000063742::cid_2998824

SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)o1

InChI Key InChIKey=MNSRIIZIEQAZQP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40829   

TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40829(1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2...)
Affinity DataIC50: >5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay