Reaction Details
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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50239620
Substrate
n/a
Meas. Tech.
ChEMBL_1666547 (CHEMBL4016343)
EC50
>50000±n/a nM
Citation
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More Info.:
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:
BDBM50239620
Synonyms:
CHEMBL4082055
Type:
Small organic molecule
Emp. Form.:
C22H27FN2O3
Mol. Mass.:
386.4598
SMILES:
NC(=O)C12CC3CC(C1)C(CC(=O)N1CC(O)C1)(C(C3)C2)c1ccc(F)cc1 |TLB:19:18:8:6.5.4,21:9:6.19.5:20.3.8,21:9:8:6.5.4,THB:19:5:9.18.20:8,4:5:9:20.3.8,4:3:9:6.19.5,1:3:9:6.19.5,10:9:6.19.5:20.3.8,10:9:8:6.5.4,(44.31,-2.3,;42.78,-2.49,;41.85,-1.26,;42.17,-3.91,;43.58,-4.49,;43.56,-6.02,;42.16,-6.36,;40.84,-5.87,;40.83,-4.39,;39.65,-7.15,;38.5,-6.12,;37.03,-6.59,;35.78,-5.68,;36.55,-8.06,;35.18,-8.75,;35.88,-10.13,;35.4,-11.59,;37.25,-9.43,;41.14,-6.73,;42.55,-7.3,;41.14,-5.15,;39.63,-8.69,;38.29,-9.44,;38.27,-10.97,;39.6,-11.76,;39.58,-13.3,;40.94,-10.99,;40.95,-9.46,)|