Ki Summary

Reaction Details

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Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50571892

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2115935 (CHEMBL4824876)

IC50

80±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

BDBM50571892

n/a

Name

BDBM50571892

Synonyms:

CHEMBL4854619

Type

Small organic molecule

Emp. Form.

C21H26ClN3O2

Mol. Mass.

387.903

SMILES

[H][C@@]1(CC[C@@H](CC1)c1nccc(OC)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,1.0,(8.83,-18.03,;9.24,-19.51,;7.91,-18.74,;6.58,-19.51,;6.58,-21.05,;7.91,-21.82,;9.24,-21.05,;5.25,-21.83,;3.91,-21.06,;2.58,-21.83,;2.58,-23.37,;3.93,-24.13,;3.94,-25.66,;2.62,-26.44,;5.26,-23.36,;10.57,-18.75,;10.58,-17.21,;11.91,-16.45,;11.91,-19.52,;11.9,-21.06,;10.56,-21.83,;13.24,-21.84,;13.22,-23.38,;14.56,-24.15,;15.9,-23.39,;17.23,-24.16,;15.89,-21.84,;14.56,-21.07,)|

Structure