Reaction Details |
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Target | Nuclear receptor ROR-gamma |
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Ligand | BDBM50452849 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1748478 (CHEMBL4182988) |
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IC50 | 7.8±n/a nM |
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Citation | Kono, M; Oda, T; Tawada, M; Imada, T; Banno, Y; Taya, N; Kawamoto, T; Tokuhara, H; Tomata, Y; Ishii, N; Ochida, A; Fukase, Y; Yukawa, T; Fukumoto, S; Watanabe, H; Uga, K; Shibata, A; Nakagawa, H; Shirasaki, M; Fujitani, Y; Yamasaki, M; Shirai, J; Yamamoto, S Discovery of orally efficacious ROR?t inverse agonists. Part 2: Design, synthesis, and biological evaluation of novel tetrahydroisoquinoline derivatives. Bioorg Med Chem26:470-482 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nuclear receptor ROR-gamma |
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Name: | Nuclear receptor ROR-gamma |
Synonyms: | NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc) |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 58218.40 |
Organism: | Homo sapiens (Human) |
Description: | P51449 |
Residue: | 518 |
Sequence: | MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
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BDBM50452849 |
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n/a |
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Name | BDBM50452849 |
Synonyms: | CHEMBL4213861 |
Type | Small organic molecule |
Emp. Form. | C25H31F2N3O5Si |
Mol. Mass. | 519.613 |
SMILES | [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#7](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| |
Structure |
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