Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM20625
Substrate
n/a
Meas. Tech.
ChEMBL_1527084 (CHEMBL3635224)
IC50
14600±n/a nM
Citation
 Hodnik, ?; Toma?ic, T; Smodi?, D; D'Amore, C; Ma?ic, LP; Fiorucci, S; Kikelj, D Diethylstilbestrol-scaffold-based pregnane X receptor modulators. Eur J Med Chem 103:551-62 (2015) [PubMed]  Article 
Target
Name:
Nuclear receptor subfamily 1 group I member 2
Synonyms:
NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic receptor | nuclear receptor subfamily 1 group I member 2 isoform 1
Type:
Nuclear receptor
Mol. Mass.:
49774.77
Organism:
Homo sapiens (Human)
Description:
O75469
Residue:
434
Sequence:
MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLLPHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWECGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHRVVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPFATPLMQELFGITGS
  
Inhibitor
Name:
BDBM20625
Synonyms:
4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | CHEMBL411 | Diethylstilbestrol | Diethylstilbestrol (1) | Stilbestrol | Stilboestroform
Type:
Small organic molecule
Emp. Form.:
C18H20O2
Mol. Mass.:
268.3502
SMILES:
CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: