Ki Summary

Reaction Details

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Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50550037

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2069926 (CHEMBL4725179)

IC50

3.0±n/a nM

Citation

Zhang, L; Cherney, EC; Zhu, X; Lin, TA; Gullo-Brown, J; Maley, D; Johnston-Allegretto, K; Kopcho, L; Fereshteh, M; Huang, C; Li, X; Traeger, SC; Dhar, G; Anandam, A; Mahankali, S; Padmanabhan, S; Rajanna, P; Murali, V; Mariappan, T; Borzilleri, R; Vite, G; Hunt, JT; Balog, A Discovery of Imidazopyridines as Potent Inhibitors of Indoleamine 2,3-Dioxygenase 1 for Cancer Immunotherapy. ACS Med Chem Lett12:494-501 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Indoleamine 2,3-dioxygenase 1

Name:

Indoleamine 2,3-dioxygenase 1

Synonyms:

Type:

Enzyme

Mol. Mass.:

45330.80

Organism:

Homo sapiens (Human)

Description:

P14902

Residue:

403

Sequence:

MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVE
KLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLEL
PPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKV
IPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGN
PQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMP
PAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQ
QPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG

BDBM50550037

n/a

Name

BDBM50550037

Synonyms:

CHEMBL4755937

Type

Small organic molecule

Emp. Form.

C24H23ClFN3

Mol. Mass.

407.911

SMILES

[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|

Structure