Ki Summary

Reaction Details

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Target

Bile acid receptor

Ligand

BDBM50336397

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_716785 (CHEMBL1670707)

EC50

5000±n/a nM

Citation

Richter, HG; Benson, GM; Bleicher, KH; Blum, D; Chaput, E; Clemann, N; Feng, S; Gardes, C; Grether, U; Hartman, P; Kuhn, B; Martin, RE; Plancher, JM; Rudolph, MG; Schuler, F; Taylor, S Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties. Bioorg Med Chem Lett21:1134-40 (2011) [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

BDBM50336397

n/a

Name

BDBM50336397

Synonyms:

CHEMBL1668251 | trans-2-(4-((S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)cyclohexyl)acetic acid

Type

Small organic molecule

Emp. Form.

C29H32ClF2N3O3

Mol. Mass.

544.032

SMILES

OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:13.21,4.3,wD:7.10,(7.34,-4.5,;8.68,-3.75,;8.7,-2.21,;10.01,-4.53,;11.35,-3.78,;11.37,-2.23,;12.7,-1.48,;14.03,-2.27,;14.02,-3.8,;12.68,-4.56,;15.37,-1.51,;16.7,-2.29,;16.69,-3.83,;18.04,-1.53,;19.36,-2.31,;19.34,-3.85,;20.66,-4.63,;22.01,-3.88,;22.02,-2.34,;20.69,-1.55,;18.05,.01,;18.95,1.27,;18.03,2.52,;16.56,2.03,;15.23,2.79,;13.9,2.02,;12.56,2.79,;13.89,.48,;12.56,-.29,;15.23,-.29,;16.57,.48,;20.49,1.28,;21.27,-.05,;22.8,-.04,;23.57,1.3,;25.11,1.31,;22.78,2.63,;21.25,2.62,)|

Structure