BDBM40317 2-[(3-methylbenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::2-[(3-methylbenzyl)thio]-1-pyrindan-3-carbonitrile::2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::2-[(3-methylphenyl)methylthio]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::MLS000549083::SMR000115111::cid_1201887
SMILES: Cc1cccc(CSc2nc3CCCc3cc2C#N)c1
InChI Key: InChIKey=BDVITLAXEORYNX-UHFFFAOYSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mothers against decapentaplegic homolog 3 (Homo sapiens (Human)) | BDBM40317 (2-[(3-methylbenzyl)sulfanyl]-6,7-dihydro-5H-cyclop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G44NQ4 | |||||||||||
More data for this Ligand-Target Pair |