Reaction Details Report a problem with these data
Target
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase
Ligand
BDBM20607
Substrate
n/a
Meas. Tech.
ChEBML_35744
IC50
12±n/a nM
Citation
 Ruenitz, PC; Arrendale, RF; Schmidt, WF; Thompson, CB; Nanavati, NT Phenolic metabolites of clomiphene: [(E,Z)-2-[4-(1,2-diphenyl-2-chlorovinyl)phenoxy]ethyl]diethylamine. Preparation, electrophilicity, and effects in MCF 7 breast cancer cells. J Med Chem 32:192-7 (1989) [PubMed]  Article 
Target
Name:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase
Synonyms:
Anti-estrogen binding site (AEBS)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 35744
Components:
This complex has 2 components.
Component 1
Name:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Synonyms:
Cholestenol Delta-isomerase | D8-D7 sterol isomerase | Delta(8)-Delta(7) sterol isomerase | Emopamil-binding protein | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | EBP_HUMAN | EBP | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase | Anti-estrogen binding site (AEBS)
Type:
PROTEIN
Mol. Mass.:
26358.51
Organism:
Human
Description:
ChEMBL_873432
Residue:
230
Sequence:
MTTNAGPLHPYWPQHLRLDNFVPNDRPTWHILAGLFSVTGVLVVTTWLLSGRAAVVPLGTWRRLSLCWFAVCGFIHLVIEGWFVLYYEDLLGDQAFLSQLWKEYAKGDSRYILGDNFTVCMETITACLWGPLSLWVVIAFLRQHPLRFILQLVVSVGQIYGDVLYFLTEHRDGFQHGELGHPLYFWFYFVFMNALWLVLPGVLVLDAVKHLTHAQSTLDAKATKAKSKKN
  
Component 2
Name:
7-dehydrocholesterol reductase
Synonyms:
7-DHC reductase | Putative sterol reductase SR-2 | Sterol Delta(7)-reductase | DHCR7_HUMAN | DHCR7 | D7SR | Anti-estrogen binding site (AEBS)
Type:
PROTEIN
Mol. Mass.:
54508.42
Organism:
Human
Description:
ChEMBL_864350
Residue:
475
Sequence:
MAAKSQPNIPKAKSLDGVTNDRTASQGQWGRAWEVDWFSLASVIFLLLFAPFIVYYFIMACDQYSCALTGPVVDIVTGHARLSDIWAKTPPITRKAAQLYTLWVTFQVLLYTSLPDFCHKFLPGYVGGIQEGAVTPAGVVNKYQINGLQAWLLTHLLWFANAHLLSWFSPTIIFDNWIPLLWCANILGYAVSTFAMVKGYFFPTSARDCKFTGNFFYNYMMGIEFNPRIGKWFDFKLFFNGRPGIVAWTLINLSFAAKQRELHSHVTNAMVLVNVLQAIYVIDFFWNETWYLKTIDICHDHFGWYLGWGDCVWLPYLYTLQGLYLVYHPVQLSTPHAVGVLLLGLVGYYIFRVANHQKDLFRRTDGRCLIWGRKPKVIECSYTSADGQRHHSKLLVSGFWGVARHFNYVGDLMGSLAYCLACGGGHLLPYFYIIYMAILLTHRCLRDEHRCASKYGRDWERYTAAVPYRLLPGIF
  
Inhibitor
Name:
BDBM20607
Synonyms:
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine | CHEMBL83 | cid_2733526 | FOSTRIECIN SODIUM | 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine | Tamoxifen, 7 | Nolvadex | Tamoxifen | Tamoxifen (8) | NCGC00024928 | med.21724, Compound Tamoxifen | US20240217988, Example Tamoxifen
Type:
Small organic molecule
Emp. Form.:
C26H29NO
Mol. Mass.:
371.22
SMILES:
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
Structure:
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