Ki Summary

Reaction Details

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Target

Bile acid receptor

Ligand

BDBM50323537

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_644903 (CHEMBL1211233)

EC50

61±n/a nM

Citation

Abel, U; Schlüter, T; Schulz, A; Hambruch, E; Steeneck, C; Hornberger, M; Hoffmann, T; Perovic-Ottstadt, S; Kinzel, O; Burnet, M; Deuschle, U; Kremoser, C Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett20:4911-7 (2010) [PubMed] Article

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

BDBM50323537

n/a

Name

BDBM50323537

Synonyms:

3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)pyridin-2-yl)(methyl)amino)methyl)benzoic acid | CHEMBL1209228

Type

Small organic molecule

Emp. Form.

C27H24Cl3N3O4

Mol. Mass.

560.856

SMILES

CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)|

Structure