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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50567129
Substrate
n/a
Meas. Tech.
ChEMBL_2102391 (CHEMBL4810787)
IC50
0.980000±n/a nM
Citation
 Yu, W; Deng, Y; Sloman, D; Li, D; Liu, K; Fradera, X; Lesburg, CA; Martinot, T; Doty, A; Ferguson, H; Richard Miller, J; Knemeyer, I; Otte, K; Vincent, S; Sciammetta, N; Jonathan Bennett, D; Han, Y Discovery of IDO1 inhibitors containing a decahydroquinoline, decahydro-1,6-naphthyridine, or octahydro-1H-pyrrolo[3,2-c]pyridine scaffold. Bioorg Med Chem Lett 49:0 (2021) [PubMed]  Article 
Target
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:
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
  
Inhibitor
Name:
BDBM50567129
Synonyms:
CHEMBL4849622
Type:
Small organic molecule
Emp. Form.:
C27H30ClFN2O2
Mol. Mass.:
468.991
SMILES:
Fc1ccc(NC(=O)C2(CCC2)C2CCC3C(CCCN3C(=O)c3cccc(Cl)c3)C2)cc1
Structure:
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