BDBM79432 1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2-enylamino)pyrrole-2,5-dione::3-(allylamino)-4-chloro-1-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dione::3-(allylamino)-4-chloro-1-(2,3-dichlorophenyl)-3-pyrroline-2,5-quinone::3-chloro-1-(2,3-dichlorophenyl)-4-(prop-2-enylamino)pyrrole-2,5-dione::MLS000533809::SMR000141247::cid_1560351
SMILES: Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl
InChI Key: InChIKey=JOTBPOJDRZRGQG-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-7 (Homo sapiens (Human)) | BDBM79432 (1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.53E+4 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM79432 (1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.53E+4 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24M9315 | |||||||||||
More data for this Ligand-Target Pair |