Reaction Details Report a problem with these data
Target
Estradiol 17-beta-dehydrogenase 2
Ligand
BDBM50525966
Substrate
n/a
Meas. Tech.
ChEMBL_1898529 (CHEMBL4400644)
IC50
12±n/a nM
Citation
 Abdelsamie, AS; Herath, S; Biskupek, Y; Börger, C; Siebenbürger, L; Salah, M; Scheuer, C; Marchais-Oberwinkler, S; Frotscher, M; Pohlemann, T; Menger, MD; Hartmann, RW; Laschke, MW; van Koppen, CJ Targeted Endocrine Therapy: Design, Synthesis, and Proof-of-Principle of 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors in Bone Fracture Healing. J Med Chem 62:1362-1372 (2019) [PubMed]  Article 
Target
Name:
Estradiol 17-beta-dehydrogenase 2
Synonyms:
17-beta-HSD 2 | 17-beta-hydroxysteroid dehydrogenase type 2 | DHB2_MOUSE | Edh17b2 | Hsd17b2 | Testosterone 17-beta-dehydrogenase
Type:
PROTEIN
Mol. Mass.:
41847.95
Organism:
Mus musculus
Description:
ChEMBL_104366
Residue:
381
Sequence:
MSPFASESAWLCLAAAAVLGGTLLCGCRSGRQLRSQAVCLAGLWGGACLLSLSLLCTLFLLSVACFLLLYMSSSDQDLLPVDQKAVLVTGADSGFGHGLAKHLDKLGFTVFAGVLDKEGPGAEELRKHCSERLSVLQMDVTKPEQIKDAHSKVTEKIQDKGLWAVVNNAGVFHLPIDGELIPMSIYRKCMAVNFFGTVEVTKAFLPLLRKSKGRLVNVSSMGGTVPLQMTSAYAATKAALTMFSTIIRQELDKWGVKVVTIKPGGFKTNITGSQDIWDKMEKEILDHFSKDIQENYGQDYVHTQKLIIPTLKERSNPDITPVLRDIQHAISARNPSSFYYPGRMAYLWVCLAAYCPTSLLDYVIKKGFYPQPTPRALRTVH
  
Inhibitor
Name:
BDBM50525966
Synonyms:
CHEMBL4552641
Type:
Small organic molecule
Emp. Form.:
C24H13F6NO4S2
Mol. Mass.:
557.485
SMILES:
Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Structure:
Search PDB for entries with ligand similarity: