| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor ROR-gamma |
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| Ligand | BDBM189909 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1794585 (CHEMBL4266702) |
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| IC50 | 18±n/a nM |
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| Citation |  Schnute, ME; Wennerstål, M; Alley, J; Bengtsson, M; Blinn, JR; Bolten, CW; Braden, T; Bonn, T; Carlsson, B; Caspers, N; Chen, M; Choi, C; Collis, LP; Crouse, K; Färnegårdh, M; Fennell, KF; Fish, S; Flick, AC; Goos-Nilsson, A; Gullberg, H; Harris, PK; Heasley, SE; Hegen, M; Hromockyj, AE; Hu, X; Husman, B; Janosik, T; Jones, P; Kaila, N; Kallin, E; Kauppi, B; Kiefer, JR; Knafels, J; Koehler, K; Kruger, L; Kurumbail, RG; Kyne, RE; Li, W; Löfstedt, J; Long, SA; Menard, CA; Mente, S; Messing, D; Meyers, MJ; Napierata, L; Nöteberg, D; Nuhant, P; Pelc, MJ; Prinsen, MJ; Rhönnstad, P; Backström-Rydin, E; Sandberg, J; Sandström, M; Shah, F; Sjöberg, M; Sundell, A; Taylor, AP; Thorarensen, A; Trujillo, JI; Trzupek, JD; Unwalla, R; Vajdos, FF; Weinberg, RA; Wood, DC; Xing, L; Zamaratski, E; Zapf, CW; Zhao, Y; Wilhelmsson, A; Berstein, G Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J Med Chem61:10415-10439 (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 |
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| 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) |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 58218.40 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P51449 |
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| Residue: | 518 |
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| Sequence: | MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
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| BDBM189909 |
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| n/a |
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| Name | BDBM189909 |
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| Synonyms: | US10227346, Example 33 | US10426135, Example 33 | US9670201, 33 3-cyano-N-(3-(1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl)-1,4-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide | US9920054, Example 33 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H28FN5O2 |
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| Mol. Mass. | 509.574 |
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| SMILES | Cc1cccc(F)c1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 |
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| Structure | 
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