Ki Summary

Reaction Details

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Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50285416

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2025273 (CHEMBL4679086)

IC50

47±n/a nM

Citation

Kinzel, O; Steeneck, C; Anderhub, S; Hornberger, M; Pinto, S; Morschhaeuser, B; Albers, M; Sonnek, C; Wang, Y; Mallinger, A; Czeka?ska, M; Hoffmann, T Discovery of highly potent heme-displacing IDO1 inhibitors based on a spirofused bicyclic scaffold. Bioorg Med Chem Lett33:0 (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

BDBM50285416

n/a

Name

BDBM50285416

Synonyms:

CHEMBL4161733

Type

Small organic molecule

Emp. Form.

C24H24ClFN2O

Mol. Mass.

410.912

SMILES

[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)|

Structure