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Target
Sex hormone-binding globulin
Ligand
BDBM50166035
Substrate
n/a
Meas. Tech.
ChEMBL_305616 (CHEMBL829479)
IC50
124500±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:
Homo sapiens (Human)
Description:
ChEMBL_466706
Residue:
402
Sequence:
MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNGPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDDWFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLEVDGEEVLRLRQVSGPLTSKRHPIMRIALGGLLFPASNLRLPLVPALDGCLRRDSWLDKQAEISASAPTSLRSCDVESNPGIFLPPGTQAEFNLRDIPQPHAEPWAFSLDLGLKQAAGSGHLLALGTPENPSWLSLHLQDQKVVLSSGSGPGLDLPLVLGLPLQLKLSMSRVVLSQGSKMKALALPPLGLAPLLNLWAKPQGRLFLGALPGEDSSTSFCLNGLWAQGQRLDVDQALNRSHEIWTHSCPQSPGNGTDASH
  
Inhibitor
Name:
BDBM50166035
Synonyms:
4-((1R,2R,5R,6R,9R)-5-Hydroxymethyl-6,8,9-trimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol | CHEMBL195765
Type:
Small organic molecule
Emp. Form.:
C18H24O3
Mol. Mass.:
288.3814
SMILES:
C[C@@H]1C=C(C)[C@H]2[C@@H](C)[C@]1(CO)CO[C@H]2c1ccc(O)cc1 |t:2,TLB:0:1:6:12.13.11,4:3:6:12.13.11|
Structure:
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