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Target
Nuclear receptor ROR-beta
Ligand
BDBM50542499
Substrate
n/a
Meas. Tech.
ChEMBL_1987161 (CHEMBL4620708)
Kd
2700±n/a nM
Citation
 Gege, C; Albers, M; Kinzel, O; Kleymann, G; Schlüter, T; Steeneck, C; Hoffmann, T; Xue, X; Cummings, MD; Spurlino, J; Milligan, C; Fourie, AM; Edwards, JP; Leonard, K; Coe, K; Scott, B; Pippel, D; Goldberg, SD Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR?t. 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:
BDBM50542499
Synonyms:
CHEMBL4635866
Type:
Small organic molecule
Emp. Form.:
C24H25Cl2F5N4O5S2
Mol. Mass.:
679.507
SMILES:
CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)c(s1)-c1ccc(c(Cl)c1Cl)S(=O)(=O)NC1(CC1)C(F)(F)F
Structure:
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