BDBM62300 2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid::2-[(4-bromophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::2-[[(4-bromophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid::MLS-0425591.0001::cid_2057277
SMILES: OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2CCCCc12
InChI Key: InChIKey=PRTGFMUUDUTUHI-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tumor necrosis factor (Homo sapiens (Human)) | BDBM62300 (2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-ben...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM62300 (2-[(4-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-ben...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD | |||||||||||
More data for this Ligand-Target Pair |