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Target
Nuclear receptor ROR-gamma
Ligand
BDBM189877
Substrate
n/a
Meas. Tech.
ChEMBL_1794626 (CHEMBL4266743)
IC50
32±n/a nM
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 Chem 61:10415-10439 (2018) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:
PROTEIN
Mol. Mass.:
58133.31
Organism:
Mus musculus
Description:
ChEMBL_103664
Residue:
516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQCNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGSGPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELGEPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSREEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVLVRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTALVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEKLQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
  
Inhibitor
Name:
BDBM189877
Synonyms:
US10227346, Example 5 | US10426135, Example 5 | US9670201, 5 3-cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide | US9920054, Example 5
Type:
Small organic molecule
Emp. Form.:
C26H26F3N5O2
Mol. Mass.:
497.5121
SMILES:
CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Structure:
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