BDBM24663 2-(1H-imidazol-4-yl)phenol::2-(1H-imidazol-4-yl)phenol, 1
SMILES: Oc1ccccc1-c1c[nH]cn1
InChI Key: InChIKey=BYAAMOMNSVKNMA-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)) | BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 8.90E+3 | -7.16 | 4.80E+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)) | BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a |
NewLink Genetics Corporation Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs | J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NewLink Genetics Corporation Curated by ChEMBL | Assay Description Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins b... | J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.80E+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) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24663 (2-(1H-imidazol-4-yl)phenol | 2-(1H-imidazol-4-yl)p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre... | Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |