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Target
Nuclear receptor ROR-beta
Ligand
BDBM285815
Substrate
n/a
Meas. Tech.
ChEMBL_1989663 (CHEMBL4623398)
IC50
148±n/a nM
Citation
 Steeneck, C; Gege, C; Kinzel, O; Albers, M; Kleymann, G; Schlüter, T; Schulz, A; Xue, X; Cummings, MD; Fourie, AM; Leonard, KA; Scott, B; Edwards, JP; Hoffmann, T; Goldberg, SD Discovery and optimization of new oxadiazole substituted thiazole ROR?t inverse agonists through a bioisosteric amide replacement approach. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-beta
Synonyms:
NR1F2 | Nuclear receptor RZR-beta | Nuclear receptor subfamily 1 group F member 2 | RORB | RORB_HUMAN | RZRB | Retinoid-related orphan receptor-beta
Type:
PROTEIN
Mol. Mass.:
53227.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107979
Residue:
470
Sequence:
MCENQLKTKADATAQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQNNASYSCPRQRNCLIDRTNRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLYAEVQKHQQRLQEQRQQQSGEAEALARVYSSSISNGLSNLNNETSGTYANGHVIDLPKSEGYYNVDSGQPSPDQSGLDMTGIKQIKQEPIYDLTSVPNLFTYSSFNNGQLAPGITMTEIDRIAQNIIKSHLETCQYTMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQNDQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNLCSLQLTEEEIALFSSAVLISPDRAWLIEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKLIAKIPTITAVCNLHGEKLQVFKQSHPEIVNTLFPPLYKELFNPDCATGCK
  
Inhibitor
Name:
BDBM285815
Synonyms:
US10080744, Example 18
Type:
Small organic molecule
Emp. Form.:
C25H26Cl2F3N3O4S3
Mol. Mass.:
656.588
SMILES:
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F |r|
Structure:
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