Target
Sex hormone-binding globulin
Ligand
BDBM50200091
Substrate
n/a
Meas. Tech.
ChEMBL_422532 (CHEMBL911029)
IC50
950±n/a nM
Citation
 Cherkasov, ABan, FLi, YFallahi, MHammond, GL Progressive docking: a hybrid QSAR/docking approach for accelerating in silico high throughput screening. J Med Chem 49:7466-78 (2006) [PubMed]  Article 
Target
Name:
Sex hormone-binding globulin
Synonyms:
SHBG | SHBG_HUMAN | Testis-specific androgen-binding protein
Type:
PROTEIN
Mol. Mass.:
43780.19
Organism:
Homo sapiens (Human)
Description:
ChEMBL_466706
Residue:
402
Sequence:
MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNGPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDDWFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLEVDGEEVLRLRQVSGPLTSKRHPIMRIALGGLLFPASNLRLPLVPALDGCLRRDSWLDKQAEISASAPTSLRSCDVESNPGIFLPPGTQAEFNLRDIPQPHAEPWAFSLDLGLKQAAGSGHLLALGTPENPSWLSLHLQDQKVVLSSGSGPGLDLPLVLGLPLQLKLSMSRVVLSQGSKMKALALPPLGLAPLLNLWAKPQGRLFLGALPGEDSSTSFCLNGLWAQGQRLDVDQALNRSHEIWTHSCPQSPGNGTDASH
  
Inhibitor
Name:
BDBM50200091
Synonyms:
8-hydroxy-7a-methyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[1,2-d]azepin-2-one | CHEMBL386857 | NSC-627265
Type:
Small organic molecule
Emp. Form.:
C19H29NO2
Mol. Mass.:
303.4391
SMILES:
CC12CCC3C(CCC4=CC(=O)NCCC34C)C1CCC2O |t:8|
Structure:
Search PDB for entries with ligand similarity: