Reaction Details Report a problem with these data
Target
Steroid hormone receptor ERR1
Ligand
BDBM50501981
Substrate
n/a
Meas. Tech.
ChEMBL_1806215 (CHEMBL4305574)
IC50
8.0±n/a nM
Citation
 Peng, L; Zhang, Z; Lei, C; Li, S; Zhang, Z; Ren, X; Chang, Y; Zhang, Y; Xu, Y; Ding, K Identification of New Small-Molecule Inducers of Estrogen-related Receptor ? (ERR?) Degradation. ACS Med Chem Lett 10:767-772 (2019) [PubMed]  Article 
Target
Name:
Steroid hormone receptor ERR1
Synonyms:
ERR-alpha | ERR1 | ERR1_HUMAN | ESRL1 | ESRRA | Estrogen receptor-like 1 | Estrogen-Related Receptor, alpha | Estrogen-related receptor alpha | NR3B1 | Nuclear receptor subfamily 3 group B member 1 | Steroid hormone receptor ERR1 | Steroid hormone receptor ERR1 alpha | Steroid hormone receptor ERR1/Estrogen-related receptor alpha (ERRa) | von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1
Type:
PROTEIN
Mol. Mass.:
45508.08
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1499891
Residue:
423
Sequence:
MSSQVVGIEPLYIKAEPASPDSPKGSSETETEPPVALAPGPAPTRCLPGHKEEEDGEGAGPGEQGGGKLVLSSLPKRLCLVCGDVASGYHYGVASCEACKAFFKRTIQGSIEYSCPASNECEITKRRRKACQACRFTKCLRVGMLKEGVRLDRVRGGRQKYKRRPEVDPLPFPGPFPAGPLAVAGGPRKTAAPVNALVSHLLVVEPEKLYAMPDPAGPDGHLPAVATLCDLFDREIVVTISWAKSIPGFSSLSLSDQMSVLQSVWMEVLVLGVAQRSLPLQDELAFAEDLVLDEEGARAAGLGELGAALLQLVRRLQALRLEREEYVLLKALALANSDSVHIEDAEAVEQLREALHEALLEYEAGRAGPGGGAERRRAGRLLLTLPLLRQTAGKVLAHFYGVKLEGKVPMHKLFLEMLEAMMD
  
Inhibitor
Name:
BDBM50501981
Synonyms:
CHEMBL4218019
Type:
Small organic molecule
Emp. Form.:
C46H47F3N6O9S2
Mol. Mass.:
949.025
SMILES:
COc1cc(\C=C2/SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)C2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |r|
Structure:
Search PDB for entries with ligand similarity: