Reaction Details Report a problem with these data
Target
Corticosteroid-binding globulin
Ligand
BDBM50474606
Substrate
n/a
Meas. Tech.
ChEMBL_48199 (CHEMBL665995)
Ki
10000±n/a nM
Citation
 Kotani, T; Higashiura, K Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR. J Med Chem 47:2732-42 (2004) [PubMed]  Article 
Target
Name:
Corticosteroid-binding globulin
Synonyms:
CBG | CBG_HUMAN | Corticosteroid binding globulin | SERPINA6
Type:
PROTEIN
Mol. Mass.:
45136.82
Organism:
Homo sapiens
Description:
ChEMBL_10503
Residue:
405
Sequence:
MPLLLYTCLLWLPTSGLWTVQAMDPNAAYVNMSNHHRGLASANVDFAFSLYKHLVALSPKKNIFISPVSISMALAMLSLGTCGHTRAQLLQGLGFNLTERSETEIHQGFQHLHQLFAKSDTSLEMTMGNALFLDGSLELLESFSADIKHYYESEVLAMNFQDWATASRQINSYVKNKTQGKIVDLFSGLDSPAILVLVNYIFFKGTWTQPFDLASTREENFYVDETTVVKVPMMLQSSTISYLHDSELPCQLVQMNYVGNGTVFFILPDKGKMNTVIAALSRDTINRWSAGLTSSQVDLYIPKVTISGVYDLGDVLEEMGIADLFTNQANFSRITQDAQLKSSKVVHKAVLQLNEEGVDTAGSTGVTLNLTSKPIILRFNQPFIIMIFDHFTWSSLFLARVMNPV
  
Inhibitor
Name:
BDBM50474606
Synonyms:
ANDROSTANEDIOL | CHEBI:18329 | androstanediol
Type:
Small organic molecule
Emp. Form.:
C19H32O2
Mol. Mass.:
292.4562
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C
Structure:
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