BDBM38928 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorobenzoyl)azepan-2-one::3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)carbonyl-azepan-2-one::3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-chlorobenzoyl)azepan-2-one::3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-[(4-chlorophenyl)-oxomethyl]-2-azepanone::MLS000098669::SMR000068701::cid_2997963
SMILES: Clc1ccc(cc1)C(=O)N1CCCCC(Sc2nnc(o2)-c2ccc3OCOc3c2)C1=O
InChI Key: InChIKey=GVMQVAYHFJDREY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM38928 (3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM38928 (3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
matrix metalloproteinase 1 (Homo sapiens (Human)) | BDBM38928 (3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Sanford-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 (2008) BindingDB Entry DOI: 10.7270/Q2154FGT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM38928 (3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM38928 (3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ | |||||||||||
More data for this Ligand-Target Pair |