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Target
Corticosteroid-binding globulin
Ligand
BDBM19214
Substrate
n/a
Meas. Tech.
ChEMBL_48199 (CHEMBL665995)
Ki
525±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:
BDBM19214
Synonyms:
(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde | Aldosterone | US10188667, Aldosterone | [3H]Aldosterone
Type:
Steroid
Emp. Form.:
C21H28O5
Mol. Mass.:
360.444
SMILES:
[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Structure:
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