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Target
Nuclear receptor ROR-beta
Ligand
BDBM50271665
Substrate
n/a
Meas. Tech.
ChEBML_1711299
IC50
53±n/a nM
Citation
 Gege, C; Cummings, MD; Albers, M; Kinzel, O; Kleymann, G; Schlüter, T; Steeneck, C; Nelen, MI; Milligan, C; Spurlino, J; Xue, X; Leonard, K; Edwards, JP; Fourie, A; Goldberg, SD; Hoffmann, T Identification and biological evaluation of thiazole-based inverse agonists of ROR?t. Bioorg Med Chem Lett 28:1446-1455 (2018) [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:
BDBM50271665
Synonyms:
CHEMBL4126690
Type:
Small organic molecule
Emp. Form.:
C29H34F6N2O4S
Mol. Mass.:
620.647
SMILES:
CC(C)(C)c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)-c1sc(nc1CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C1)C(O)=O |r,wU:35.37,wD:37.42,(39.13,-12.67,;39.93,-11.36,;41.47,-11.4,;40.7,-12.68,;39.21,-10.01,;37.67,-9.96,;36.93,-8.6,;37.74,-7.3,;39.28,-7.33,;40.01,-8.69,;40.07,-6.02,;40.84,-4.68,;41.61,-6.06,;42.36,-7.41,;42.42,-4.74,;43.1,-5.65,;39.34,-4.66,;40.14,-3.35,;37.8,-4.62,;38.55,-3.32,;35.4,-8.56,;34.53,-7.28,;33.05,-7.72,;33.01,-9.26,;34.46,-9.77,;34.89,-11.25,;33.83,-12.37,;32.34,-12,;31.28,-13.11,;31.71,-14.59,;33.21,-14.96,;34.28,-13.84,;31.71,-6.95,;31.71,-5.41,;30.38,-7.72,;29.04,-6.95,;27.55,-7.36,;27.15,-5.87,;28.64,-5.47,;25.82,-5.09,;24.48,-5.87,;25.82,-3.55,)|
Structure:
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