Ki Summary

Reaction Details

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Target

Cytochrome P450 4B1

Ligand

BDBM50550026

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2026168 (CHEMBL4679981)

IC50

>15000±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

Cytochrome P450 4B1

Name:

Cytochrome P450 4B1

Synonyms:

Type:

PROTEIN

Mol. Mass.:

59005.59

Organism:

Homo sapiens

Description:

ChEMBL_119703

Residue:

511

Sequence:

MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALE
IQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQ
WIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDI
FCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLT
PHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKL
SDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDL
GKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWP
DPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDP
SRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK

BDBM50550026

n/a

Name

BDBM50550026

Synonyms:

CHEMBL4786690

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)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|

Structure