Reaction Details |
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Target | Indoleamine 2,3-dioxygenase 1 |
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Ligand | BDBM50584094 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2158973 (CHEMBL5043723) |
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EC50 | 223±n/a nM |
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Citation | Yeh, TK; Song, JS; Chang, PW; Yu, JC; Chang, CH; Liao, FY; Tien, YW; Kuppusamy, R; Li, AS; Chen, CH; Chen, CW; Lin, LM; Chang, HH; Huang, CH; Yao, JY; Wu, MH; Peng, YH; Hsueh, CC; Hsiao, WC; Chen, PH; Lin, CY; Hsieh, SH; Shih, C; Hung, MS; Wu, SY; Kuo, CC; Ueng, SH Discovery and development of a novel N-(3-bromophenyl)-{[(phenylcarbamoyl)amino]methyl}-N-hydroxythiophene-2-carboximidamide indoleamine 2,3-dioxygenase inhibitor using knowledge-based drug design. Eur J Med Chem229:0 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Indoleamine 2,3-dioxygenase 1 |
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Name: | Indoleamine 2,3-dioxygenase 1 |
Synonyms: | I23O1_HUMAN | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine 2,3-dioxygenase | Indoleamine-pyrrole 2,3-dioxygenase |
Type: | Enzyme |
Mol. Mass.: | 45330.80 |
Organism: | Homo sapiens (Human) |
Description: | P14902 |
Residue: | 403 |
Sequence: | MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVE
KLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLEL
PPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKV
IPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGN
PQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMP
PAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQ
QPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
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BDBM50584094 |
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n/a |
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Name | BDBM50584094 |
Synonyms: | CHEMBL5077002 |
Type | Small organic molecule |
Emp. Form. | C19H16BrClN4O2S |
Mol. Mass. | 479.778 |
SMILES | O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cs1 |
Structure |
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