BDBM60130 1,2,3,4,7,7-hexachloro-6-[(2,5-dimethoxyanilino)-oxomethyl]-5-bicyclo[2.2.1]hept-2-enecarboxylic acid::1,2,3,4,7,7-hexachloro-6-[(2,5-dimethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid::1,2,3,4,7,7-hexakis(chloranyl)-6-[(2,5-dimethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid::MLS000713931::SMR000273412::cid_3122378
SMILES: COc1ccc(OC)c(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)c1
InChI Key: InChIKey=AOUJGQLGEAZILY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM60130 (1,2,3,4,7,7-hexachloro-6-[(2,5-dimethoxyanilino)-o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.96E+4 | 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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NZ8631 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM60130 (1,2,3,4,7,7-hexachloro-6-[(2,5-dimethoxyanilino)-o...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair |