| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor ROR-beta |
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| Ligand | BDBM50548025 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2019545 (CHEMBL4673123) |
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| EC50 | 8400±n/a nM |
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| Citation |  Liu, Q; Batt, DG; Weigelt, CA; Yip, S; Wu, DR; Ruzanov, M; Sack, JS; Wang, J; Yarde, M; Li, S; Shuster, DJ; Xie, JH; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Khandelwal, P; Tino, JA; Macor, JE; Salter-Cid, L; Denton, R; Zhao, Q; Dhar, TGM Novel Tricyclic Pyroglutamide Derivatives as Potent ROR?t Inverse Agonists Identified using a Virtual Screening Approach. ACS Med Chem Lett11:2510-2518 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear receptor ROR-beta |
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| Name: | Nuclear receptor ROR-beta |
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| Synonyms: | NR1F2 | Nuclear receptor RZR-beta | Nuclear receptor subfamily 1 group F member 2 | RORB | RORB_HUMAN | RZRB | Retinoid-related orphan receptor-beta |
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| Type: | PROTEIN |
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| Mol. Mass.: | 53227.30 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_107979 |
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| Residue: | 470 |
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| Sequence: | MCENQLKTKADATAQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQNNASYSCPRQ
RNCLIDRTNRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLYAEVQKHQQRLQEQRQ
QQSGEAEALARVYSSSISNGLSNLNNETSGTYANGHVIDLPKSEGYYNVDSGQPSPDQSG
LDMTGIKQIKQEPIYDLTSVPNLFTYSSFNNGQLAPGITMTEIDRIAQNIIKSHLETCQY
TMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQN
DQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNL
CSLQLTEEEIALFSSAVLISPDRAWLIEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKL
IAKIPTITAVCNLHGEKLQVFKQSHPEIVNTLFPPLYKELFNPDCATGCK
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| BDBM50548025 |
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| n/a |
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| Name | BDBM50548025 |
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| Synonyms: | CHEMBL4782326 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H29F9N2O5S |
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| Mol. Mass. | 700.612 |
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| SMILES | [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)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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