BDBM88702 2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide::2,6-difluoro-N-[(1S)-2-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]propyl]benzamide::2,6-difluoro-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]benzamide::MLS002169439::SMR001249774::cid_7611981
SMILES: CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2nc(C)sc2c1
InChI Key: InChIKey=NZQJKQODCFJCLG-SFHVURJKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM88702 (2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-[(2-methyl-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q22N50WB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Antrax lethal toxin (Bacillus anthracis) | BDBM88702 (2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-[(2-methyl-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q26D5RK7 | |||||||||||
More data for this Ligand-Target Pair |