Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM526963
Substrate
n/a
Meas. Tech.
Cell-Based (HeLa) Assay for Measurement of IDO1 Inhibition
EC50
40.0±n/a nM
Citation
 Bartlett, MJ; Corkey, BK; Elbel, KM; Kalla, RV; Li, X; Perry, T Therapeutic heterocyclic compounds US Patent  US11186579 Publication Date 11/30/2021 
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:
BDBM526963
Synonyms:
5-(3-(2,3-difluorophenyl)-2- (hydroxymethyl)imidazo[1,2-a]pyridin-8-yl)-N- (4-fluorophenyl)-2-(trifluoromethyl)benzamide | US11186579, Example 28
Type:
Small organic molecule
Emp. Form.:
C28H17F6N3O2
Mol. Mass.:
541.4439
SMILES:
OCc1nc2c(cccn2c1-c1cccc(F)c1F)-c1ccc(c(c1)C(=O)Nc1ccc(F)cc1)C(F)(F)F |(-3.4,28.78,;-4.17,27.44,;-5.71,27.44,;-6.61,28.69,;-8.08,28.21,;-9.41,28.98,;-10.75,28.21,;-10.75,26.67,;-9.41,25.9,;-8.08,26.67,;-6.61,26.2,;-6.21,24.71,;-7.3,23.62,;-6.9,22.13,;-5.42,21.73,;-4.33,22.82,;-2.84,22.43,;-4.73,24.31,;-3.64,25.4,;-9.41,30.52,;-10.75,31.29,;-10.75,32.83,;-9.41,33.6,;-8.08,32.83,;-8.08,31.29,;-6.74,33.6,;-6.74,35.14,;-5.41,32.83,;-4.08,33.6,;-2.74,32.83,;-1.41,33.6,;-1.41,35.14,;-.08,35.91,;-2.74,35.91,;-4.08,35.14,;-9.41,35.14,;-10.75,35.91,;-8.08,35.91,;-9.41,36.68,)|
Structure:
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