Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50323701
Substrate
n/a
Meas. Tech.
ChEMBL_649075 (CHEMBL1218773)
Ki
2±n/a nM
Citation
 Renner, S; van Otterlo, WA; Dominguez Seoane, M; Möcklinghoff, S; Hofmann, B; Wetzel, S; Schuffenhauer, A; Ertl, P; Oprea, TI; Steinhilber, D; Brunsveld, L; Rauh, D; Waldmann, H Bioactivity-guided mapping and navigation of chemical space. Nat Chem Biol 5:585-92 (2009) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50323701
Synonyms:
2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinolinol | CHEMBL1213617
Type:
Small organic molecule
Emp. Form.:
C11H10F3NO2
Mol. Mass.:
245.1978
SMILES:
Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: