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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50153652
Substrate
n/a
Meas. Tech.
ChEMBL_1561096 (CHEMBL3776820)
EC50
1700±n/a nM
Citation
 Hirata, K; Kotoku, M; Seki, N; Maeba, T; Maeda, K; Hirashima, S; Sakai, T; Obika, S; Hori, A; Hase, Y; Yamaguchi, T; Katsuda, Y; Hata, T; Miyagawa, N; Arita, K; Nomura, Y; Asahina, K; Aratsu, Y; Kamada, M; Adachi, T; Noguchi, M; Doi, S; Crowe, P; Bradley, E; Steensma, R; Tao, H; Fenn, M; Babine, R; Li, X; Thacher, S; Hashimoto, H; Shiozaki, M SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR¿ Inhibitor. ACS Med Chem Lett 7:23-7 (2016) [PubMed]  Article 
Target
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:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM50153652
Synonyms:
CHEMBL3774985
Type:
Small organic molecule
Emp. Form.:
C22H32N4O
Mol. Mass.:
368.5157
SMILES:
CC(C)CCCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
Structure:
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