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Target
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2
Ligand
BDBM107664
Substrate
n/a
Meas. Tech.
ChEBML_1685727
IC50
>10000±n/a nM
Citation
 Zhuang, L; Tice, CM; Xu, Z; Zhao, W; Cacatian, S; Ye, YJ; Singh, SB; Lindblom, P; McKeever, BM; Krosky, PM; Zhao, Y; Lala, D; Kruk, BA; Meng, S; Howard, L; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Guo, J; Guo, R; Himmelsbach, F; Hamilton, B; Schuler-Metz, A; Schauerte, H; Gregg, R; McGeehan, GM; Leftheris, K; Claremon, DA Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11? hydroxysteroid dehydrogenase type 1 inhibitor. Bioorg Med Chem 25:3649-3657 (2017) [PubMed]  Article 
Target
Name:
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2
Synonyms:
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II | 3BHS2_HUMAN | HSD3B2 | HSDB3B
Type:
PROTEIN
Mol. Mass.:
42057.22
Organism:
Homo sapiens (Human)
Description:
ChEMBL_768821
Residue:
372
Sequence:
MGWSCLVTGAGGLLGQRIVRLLVEEKELKEIRALDKAFRPELREEFSKLQNRTKLTVLEGDILDEPFLKRACQDVSVVIHTACIIDVFGVTHRESIMNVNVKGTQLLLEACVQASVPVFIYTSSIEVAGPNSYKEIIQNGHEEEPLENTWPTPYPYSKKLAEKAVLAANGWNLKNGDTLYTCALRPTYIYGEGGPFLSASINEALNNNGILSSVGKFSTVNPVYVGNVAWAHILALRALRDPKKAPSVRGQFYYISDDTPHQSYDNLNYILSKEFGLRLDSRWSLPLTLMYWIGFLLEVVSFLLSPIYSYQPPFNRHTVTLSNSVFTFSYKKAQRDLAYKPLYSWEEAKQKTVEWVGSLVDRHKETLKSKTQ
  
Inhibitor
Name:
BDBM107664
Synonyms:
US8575157, 48
Type:
Small organic molecule
Emp. Form.:
C28H32N2O4
Mol. Mass.:
460.5647
SMILES:
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
Structure:
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