Reaction Details Report a problem with these data
Target
Corticosteroid-binding globulin
Ligand
BDBM8903
Substrate
n/a
Meas. Tech.
ChEMBL_48199 (CHEMBL665995)
Ki
42±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:
BDBM8903
Synonyms:
(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | CHEMBL103 | progesterone
Type:
Steroid
Emp. Form.:
C21H30O2
Mol. Mass.:
314.4617
SMILES:
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Structure:
Search PDB for entries with ligand similarity: