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Target
Sex hormone-binding globulin
Ligand
BDBM50166033
Substrate
n/a
Meas. Tech.
ChEMBL_305616 (CHEMBL829479)
IC50
22400±n/a nM
Citation
 Cherkasov, A; Shi, Z; Fallahi, M; Hammond, GL Successful in silico discovery of novel nonsteroidal ligands for human sex hormone binding globulin. J Med Chem 48:3203-13 (2005) [PubMed]  Article 
Target
Name:
Sex hormone-binding globulin
Synonyms:
SHBG | SHBG_HUMAN | Testis-specific androgen-binding protein
Type:
PROTEIN
Mol. Mass.:
43780.19
Organism:
Human
Description:
ChEMBL_466706
Residue:
402
Sequence:
MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNGPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDDWFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLEVDGEEVLRLRQVSGPLTSKRHPIMRIALGGLLFPASNLRLPLVPALDGCLRRDSWLDKQAEISASAPTSLRSCDVESNPGIFLPPGTQAEFNLRDIPQPHAEPWAFSLDLGLKQAAGSGHLLALGTPENPSWLSLHLQDQKVVLSSGSGPGLDLPLVLGLPLQLKLSMSRVVLSQGSKMKALALPPLGLAPLLNLWAKPQGRLFLGALPGEDSSTSFCLNGLWAQGQRLDVDQALNRSHEIWTHSCPQSPGNGTDASH
  
Inhibitor
Name:
BDBM50166033
Synonyms:
4-((1S,2S,5S,6S,9R)-5-Hydroxymethyl-6,8,9-trimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-2-methoxy-phenol | CHEMBL194392
Type:
Small organic molecule
Emp. Form.:
C19H26O4
Mol. Mass.:
318.4073
SMILES:
COc1cc(ccc1O)[C@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@@H]1[C@H]2C |t:18,THB:19:18:21:9.10.11,16:15:21:9.10.11|
Structure:
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