BDBM55110 1-(4-bromanyl-2-chloranyl-phenyl)-3-(1,2,4-triazol-4-yl)urea::1-(4-bromo-2-chloro-phenyl)-3-(1,2,4-triazol-4-yl)urea::1-(4-bromo-2-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea::MLS000050553::N-(4-bromo-2-chlorophenyl)-N'-4H-1,2,4-triazol-4-ylurea::SMR000076513::cid_978221
SMILES: Clc1cc(Br)ccc1NC(=O)Nn1cnnc1
InChI Key: InChIKey=CCSNKWKVTPEEAT-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)) | BDBM55110 (1-(4-bromanyl-2-chloranyl-phenyl)-3-(1,2,4-triazol...) | 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/Q20K2704 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM55110 (1-(4-bromanyl-2-chloranyl-phenyl)-3-(1,2,4-triazol...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 711 | 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/Q24B2ZQ2 | |||||||||||
More data for this Ligand-Target Pair |