Ki Summary

Reaction Details

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Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50571882

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2115940 (CHEMBL4824881)

IC50

11±n/a nM

Citation

Cherney, EC; Zhang, L; Guo, W; Huang, A; Williams, D; Seitz, S; Shan, W; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; D'Arienzo, CJ; Discenza, LN; Ranasinghe, A; Grubb, MF; Traeger, SC; Li, X; Johnston, KA; Kopcho, L; Fereshteh, M; Foster, KA; Stefanski, K; Delpy, D; Dhar, G; Anandam, A; Mahankali, S; Padmanabhan, S; Rajanna, P; Murali, V; Mariappan, TT; Pattasseri, S; Nimje, RY; Hong, Z; Kempson, J; Rampulla, R; Mathur, A; Gupta, A; Borzilleri, R; Vite, G; Balog, A Conformational-Analysis-Guided Discovery of 2,3-Disubstituted Pyridine IDO1 Inhibitors. ACS Med Chem Lett12:1143-1150 (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

BDBM50571882

n/a

Name

BDBM50571882

Synonyms:

CHEMBL4860353

Type

Small organic molecule

Emp. Form.

C22H26ClFN2O2

Mol. Mass.

404.905

SMILES

[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)|

Structure