Target
Nuclear receptor ROR-gamma
Ligand
BDBM50466893
Substrate
n/a
Meas. Tech.
ChEMBL_1794585 (CHEMBL4266702)
IC50
5.5±n/a nM
Citation
 Schnute, MEWennerstål, MAlley, JBengtsson, MBlinn, JRBolten, CWBraden, TBonn, TCarlsson, BCaspers, NChen, MChoi, CCollis, LPCrouse, KFärnegårdh, MFennell, KFFish, SFlick, ACGoos-Nilsson, AGullberg, HHarris, PKHeasley, SEHegen, MHromockyj, AEHu, XHusman, BJanosik, TJones, PKaila, NKallin, EKauppi, BKiefer, JRKnafels, JKoehler, KKruger, LKurumbail, RGKyne, RELi, WLöfstedt, JLong, SAMenard, CAMente, SMessing, DMeyers, MJNapierata, LNöteberg, DNuhant, PPelc, MJPrinsen, MJRhönnstad, PBackström-Rydin, ESandberg, JSandström, MShah, FSjöberg, MSundell, ATaylor, APThorarensen, ATrujillo, JITrzupek, JDUnwalla, RVajdos, FFWeinberg, RAWood, DCXing, LZamaratski, EZapf, CWZhao, YWilhelmsson, ABerstein, 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 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:
BDBM50466893
Synonyms:
CHEMBL4291727
Type:
Small organic molecule
Emp. Form.:
C28H30N4O2
Mol. Mass.:
454.5634
SMILES:
Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12
Structure:
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