BDBM96830 5,7-dimethyl-2-(1-piperazinyl)-3-quinolinecarbonitrile::5,7-dimethyl-2-piperazin-1-yl-quinoline-3-carbonitrile::5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile::5,7-dimethyl-2-piperazino-quinoline-3-carbonitrile::MLS003151666::SMR001856260::cid_28809628

SMILES COc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cn1

InChI Key InChIKey=AGWQWXZPAVLKSU-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 2 hits for monomerid = 96830   

TargetMitogen-activated protein kinase 1/Myeloid differentiation primary response protein MyD88 [24-40](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96830BDBM96830(US12509465, Compound 6)
Affinity DataIC50: 2.34E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent

TargetMitogen-activated protein kinase 3/MAMyeloid differentiation primary response protein MyD88 [24-40](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96830BDBM96830(US12509465, Compound 6)
Affinity DataIC50: 4.44E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent