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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50568397
Substrate
n/a
Meas. Tech.
ChEMBL_2105260 (CHEMBL4813763)
IC50
0.630000±n/a nM
Citation
 Yu, W; Deng, Y; Hopkins, B; Huang, X; Sloman, D; Zhang, H; Li, D; McGowan, MA; White, C; Pu, Q; Liu, K; Fradera, X; Lesburg, CA; Martinot, T; Doty, A; Ferguson, H; Nickbarg, EB; Cheng, M; Geda, P; Song, X; Smotrov, N; Abeywickrema, P; Andrews, C; Chamberlin, C; Mabrouk, O; Curran, P; Richards, M; Saradjian, P; Miller, JR; Knemeyer, I; Otte, K; Vincent, S; Sciammetta, N; Bennett, DJ; Han, Y SAR towards indoline and 3-azaindoline classes of IDO1 inhibitors. Bioorg Med Chem Lett 47:0 (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:
BDBM50568397
Synonyms:
CHEMBL4869600
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O3
Mol. Mass.:
411.881
SMILES:
Clc1ccc(cc1)C(=O)NC1(CCC1)c1ccc2N(CCc2n1)C(=O)OC1CC1
Structure:
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