BDBM22584 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thiophen-2-yl]-1H-indol-3-yl hydrogen sulfate::SALOR2::{4-[5-bromo-3-(sulfooxy)-1H-indol-2-yl]-13-chloro-3-thiatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,7,10,12-hexaen-5-yl}oxidanesulfonic acid
SMILES: OS(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)-c1sc2c(ccc3cccc(Cl)c23)c1OS(O)(=O)=O
InChI Key: InChIKey=GULXGEDAKSLDJB-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AICAR Tfase (Homo sapiens (Human)) | BDBM22584 (5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thio...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Scripps Research Institute | Assay Description The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The... | J Biol Chem 279: 50555-65 (2004) Article DOI: 10.1074/jbc.M406801200 BindingDB Entry DOI: 10.7270/Q2MC8X97 | |||||||||||
More data for this Ligand-Target Pair |