BDBM24820 Brassinin derivative, 8::N-benzyl(methylsulfanyl)carbothioamide
SMILES: CSC(=S)NCc1ccccc1
InChI Key: InChIKey=JUTAFHRHNRXJPU-UHFFFAOYSA-N
Data: 1 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24820 (Brassinin derivative, 8 | N-benzyl(methylsulfanyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 7.24E+4 | -5.87 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
Bryn Mawr College | Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr... | J Med Chem 49: 684-92 (2006) Article DOI: 10.1021/jm0508888 BindingDB Entry DOI: 10.7270/Q2QR4VDZ | |||||||||||
More data for this Ligand-Target Pair |