BDBM24665 3-(1H-imidazol-4-yl)benzene-1-thiol::3-(1H-imidazol-4-yl)benzenethiol, 17
SMILES: Sc1cccc(c1)-c1c[nH]cn1
InChI Key: InChIKey=GZDISEVTMUIDGB-UHFFFAOYSA-N
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)) | BDBM24665 (3-(1H-imidazol-4-yl)benzene-1-thiol | 3-(1H-imidaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.30E+3 | -7.48 | 7.60E+3 | 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 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24665 (3-(1H-imidazol-4-yl)benzene-1-thiol | 3-(1H-imidaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado College Curated by ChEMBL | Assay Description Inhibition of IDO1 (unknown origin) | J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |