Reaction Details Report a problem with these data
Target
Corticosteroid-binding globulin
Ligand
BDBM50474601
Substrate
n/a
Meas. Tech.
ChEMBL_48199 (CHEMBL665995)
Ki
166±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:
BDBM50474601
Synonyms:
4-pregnene-3,11,20-trione | CHEMBL284253
Type:
Small organic molecule
Emp. Form.:
C21H28O3
Mol. Mass.:
328.4452
SMILES:
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:21|
Structure:
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