Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50590772
Substrate
n/a
Meas. Tech.
ChEMBL_2197711 (CHEMBL5110227)
IC50
0.500000±n/a nM
Citation
 Huo, C; Luo, Z; Ning, X; Kang, X; Yan, Q; Guo, Y; Li, G; Wang, Z; Li, Y; Qian, S 4,6-Disubstituted-1H-Indazole-4-Amine derivatives with immune-chemotherapy effect and in vivo antitumor activity. Eur J Med Chem 241:0 (2022) [PubMed] 
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:
BDBM50590772
Synonyms:
BMS 986205 | BMS-986205 | Bms-986205 | F 001287 | F-001287 | LINRODOSTAT | Linrodostat | ONO 7701 | ONO-7701
Type:
Small organic molecule
Emp. Form.:
C24H24ClFN2O
Mol. Mass.:
410.912
SMILES:
C[C@H](C1CCC(CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |r,wD:1.0,(-6.99,-1.78,;-6.99,-.24,;-8.32,.53,;-9.66,-.24,;-10.99,.53,;-10.99,2.07,;-9.66,2.84,;-8.32,2.07,;-12.35,2.8,;-12.35,4.34,;-13.68,5.11,;-15.02,4.34,;-15.02,2.8,;-16.35,2.03,;-16.35,.49,;-15.02,-.28,;-15.01,-1.82,;-13.68,.49,;-13.68,2.03,;-5.66,.53,;-5.66,2.07,;-4.32,-.24,;-2.99,.53,;-2.99,2.07,;-1.66,2.84,;-.32,2.07,;1.05,2.8,;-.32,.53,;-1.66,-.24,)|
Structure:
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