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BDBM21975 (4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetramethyl-2,5,14',20'-tetraoxo-11'-oxa-6',18'-diazaspiro[imidazolidine-4,12'-pentacyclo[11.7.0.0^{2,10}.0^{3,7}.0^{15,19}]icosane]-1'(13'),2'(10'),3'(7'),8',15'(19'),16'-hexaen-6'-ium::Exiguamine A
SMILES: CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O
InChI Key: InChIKey=UEKKREMMIOJMRO-VWLOTQADSA-O
Data: 2 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM21975 ((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | 41 | -10.5 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of British Columbia | Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as... | J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM21975 ((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur Curated by ChEMBL | Assay Description Inhibition of IDO1 (unknown origin) | Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
