Ki Summary

Reaction Details

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Target

Bile acid receptor

Ligand

BDBM303497

Substrate/Competitor

n/a

Meas. Tech.

Human FXR (NR1H4) Assay

EC50

5500±n/a nM

Citation

Or, YS; He, Y; Shen, R; Xing, X; Granger, B; Wang, B; Ma, J; He, J; Long, J; Wang, G Isoxazole derivatives as FXR agonists and methods of use therof US Patent US10138228 Publication Date 11/27/2018

More Info.:

Get all data from this article, Assay Method

Bile acid receptor

Name:

Bile acid receptor

Synonyms:

BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor

Type:

Nuclear Receptor

Mol. Mass.:

55916.24

Organism:

Homo sapiens (Human)

Description:

Q96RI1

Residue:

486

Sequence:

MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ

BDBM303497

n/a

Name

BDBM303497

Synonyms:

US10138228, Example 2

Type

Small organic molecule

Emp. Form.

C38H35Cl2F3N4O5S

Mol. Mass.

787.675

SMILES

CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(,-21.3,;,-19.76,;1.33,-18.99,;2.67,-19.76,;2.67,-21.3,;4,-22.07,;5.33,-21.3,;5.33,-19.76,;4,-18.99,;6.67,-22.07,;6.67,-23.61,;8,-21.3,;9.34,-22.07,;8.57,-23.41,;10.11,-23.41,;10.67,-21.3,;12,-22.07,;13.34,-21.3,;13.34,-19.76,;12,-18.99,;10.67,-19.76,;14.67,-18.99,;16,-19.76,;14.67,-17.45,;16,-18.22,;-1.33,-18.99,;-1.33,-17.45,;-2.67,-16.68,;-4,-17.45,;-5.33,-16.68,;-6.67,-17.45,;-8,-16.68,;-8,-15.14,;-9.47,-14.67,;-10.37,-15.91,;-9.47,-17.16,;-9.87,-18.65,;-11.35,-19.05,;-12.44,-17.96,;-11.75,-20.53,;-10.66,-21.62,;-9.17,-21.22,;-8.78,-19.74,;-7.29,-19.34,;-6.67,-14.37,;-5.13,-14.37,;-5.9,-13.04,;-4,-18.99,;-2.67,-19.82,;-2.67,-21.36,;-2.67,-22.9,;-1.13,-21.36,;-4.21,-21.36,)|

Structure