Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50327379
Substrate
n/a
Meas. Tech.
ChEMBL_664414 (CHEMBL1259680)
IC50
>25000±n/a nM
Citation
 Morriello, GJ; Chicchi, G; Johnson, T; Mills, SG; Demartino, J; Kurtz, M; Tsao, KL; Zheng, S; Tong, X; Carlson, E; Townson, K; Wheeldon, A; Boyce, S; Collinson, N; Rupniak, N; Devita, RJ Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor. Bioorg Med Chem Lett 20:5925-32 (2010) [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:
BDBM50327379
Synonyms:
(1S,2R,5aS,7S,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)octahydrocyclopenta[a]pyrrolizin-5(5aH)-one | CHEMBL1256590
Type:
Small organic molecule
Emp. Form.:
C33H31F7N2O2
Mol. Mass.:
620.6003
SMILES:
C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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