Ki Summary

Reaction Details

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Target

Indoleamine 2,3-dioxygenase 1

Ligand

BDBM50571893

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2115936 (CHEMBL4824877)

IC50

75±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:

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

BDBM50571893

n/a

Name

BDBM50571893

Synonyms:

CHEMBL4860098

Type

Small organic molecule

Emp. Form.

C23H26ClF2NO2

Mol. Mass.

421.908

SMILES

[H][C@@]1(CC[C@@H](CC1)c1ccc(OC(F)F)cc1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:17.19,wD:4.7,1.0,(67.41,-4.38,;67.82,-5.87,;67.82,-7.41,;66.5,-8.18,;65.17,-7.41,;65.17,-5.87,;66.5,-5.1,;63.84,-8.19,;62.5,-7.41,;61.16,-8.19,;61.17,-9.73,;59.84,-10.5,;58.51,-9.75,;57.19,-10.52,;58.5,-8.21,;62.51,-10.49,;63.84,-9.72,;69.16,-5.11,;69.16,-3.57,;67.84,-2.8,;70.49,-5.88,;70.49,-7.42,;69.15,-8.19,;71.82,-8.2,;71.81,-9.74,;73.14,-10.51,;74.48,-9.74,;75.82,-10.51,;74.48,-8.19,;73.15,-7.42,)|

Structure