BDBM10215 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole::BI-9B12::Burnham Institute Compound 1
SMILES: FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1
InChI Key: InChIKey=FPXQYPGVDNEQKU-UHFFFAOYSA-N
Data: 3 KI
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-8 (Homo sapiens (Human)) | BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute | Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a... | J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4.30E+3 | -7.24 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Burnham Institute | Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a... | J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute | Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a... | J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ | |||||||||||
More data for this Ligand-Target Pair |