| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor subfamily 1 group I member 2 |
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| Ligand | BDBM50541922 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1985559 (CHEMBL4618965) |
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| EC50 | >5000±n/a nM |
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| Citation |  Cherney, RJ; Cornelius, LAM; Srivastava, A; Weigelt, CA; Marcoux, D; Duan, JJ; Shi, Q; Batt, DG; Liu, Q; Yip, S; Wu, DR; Ruzanov, M; Sack, J; Khan, J; Wang, J; Yarde, M; Cvijic, ME; Mathur, A; Li, S; Shuster, D; Khandelwal, P; Borowski, V; Xie, J; Obermeier, M; Fura, A; Stefanski, K; Cornelius, G; Tino, JA; Macor, JE; Salter-Cid, L; Denton, R; Zhao, Q; Carter, PH; Dhar, TGM Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR?t Inverse Agonist. ACS Med Chem Lett11:1221-1227 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear receptor subfamily 1 group I member 2 |
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| Name: | Nuclear receptor subfamily 1 group I member 2 |
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| Synonyms: | NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic receptor | nuclear receptor subfamily 1 group I member 2 isoform 1 |
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| Type: | Nuclear receptor |
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| Mol. Mass.: | 49774.77 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75469 |
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| Residue: | 434 |
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| Sequence: | MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEG
CKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEE
RRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSS
GCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLL
PHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWE
CGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHR
VVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPF
ATPLMQELFGITGS
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| BDBM50541922 |
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| n/a |
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| Name | BDBM50541922 |
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| Synonyms: | Bms-986251 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H29F8NO5S |
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| Mol. Mass. | 667.607 |
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| SMILES | [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| |
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| Structure | 
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