Ki Summary

Reaction Details

Report a problem with these data

Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50550030

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2026189 (CHEMBL4680002)

IC50

3.0±n/a nM

Citation

Cherney, EC; Zhang, L; Nara, S; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; Darienzo, C; Discenza, L; Ranasinghe, A; Grubb, M; Ziemba, T; Traeger, SC; Li, X; Johnston, K; Kopcho, L; Fereshteh, M; Foster, K; Stefanski, K; Fargnoli, J; Swanson, J; Brown, J; Delpy, D; Seitz, SP; Borzilleri, R; Vite, G; Balog, A Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. ACS Med Chem Lett12:288-294 (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:

I23O1_MOUSE | IDO-1 | Ido | Ido1 | Indo | Indoleamine-pyrrole 2,3-dioxygenase

Type:

PROTEIN

Mol. Mass.:

45639.39

Organism:

Mus musculus

Description:

ChEMBL_1452149

Residue:

407

Sequence:

MALSKISPTEGSRRILEDHHIDEDVGFALPHPLVELPDAYSPWVLVARNLPVLIENGQLR
EEVEKLPTLSTDGLRGHRLQRLAHLALGYITMAYVWNRGDDDVRKVLPRNIAVPYCELSE
KLGLPPILSYADCVLANWKKKDPNGPMTYENMDILFSFPGGDCDKGFFLVSLLVEIAASP
AIKAIPTVSSAVERQDLKALEKALHDIATSLEKAKEIFKRMRDFVDPDTFFHVLRIYLSG
WKCSSKLPEGLLYEGVWDTPKMFSGGSAGQSSIFQSLDVLLGIKHEAGKESPAEFLQEMR
EYMPPAHRNFLFFLESAPPVREFVISRHNEDLTKAYNECVNGLVSVRKFHLAIVDTYIMK
PSKKKPTDGDKSEEPSNVESRGTGGTNPMTFLRSVKDTTEKALLSWP

BDBM50550030

n/a

Name

BDBM50550030

Synonyms:

CHEMBL4743409

Type

Small organic molecule

Emp. Form.

C30H29FN2O

Mol. Mass.

452.5625

SMILES

[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:4.7,18.21,wD:1.0,(9.78,-48.44,;9.8,-49.98,;8.46,-49.21,;7.12,-49.98,;7.13,-51.52,;8.47,-52.29,;9.79,-51.52,;5.79,-52.29,;4.46,-51.52,;3.14,-52.3,;3.15,-53.83,;4.47,-54.58,;4.47,-56.13,;5.8,-56.9,;7.14,-56.13,;8.47,-56.9,;7.13,-54.58,;5.8,-53.82,;11.13,-49.21,;11.13,-47.67,;12.47,-49.98,;12.46,-51.52,;11.12,-52.29,;13.8,-52.3,;13.79,-53.83,;15.12,-54.6,;16.46,-53.83,;16.46,-52.29,;15.12,-51.52,;17.78,-54.6,;17.78,-56.14,;19.11,-56.91,;20.45,-56.14,;20.45,-54.59,;19.11,-53.83,)|

Structure