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Target
Sex hormone-binding globulin
Ligand
BDBM50423503
Substrate
n/a
Meas. Tech.
ChEMBL_466706 (CHEMBL922711)
Kd
28840±n/a nM
Citation
 Cherkasov, A; Ban, F; Santos-Filho, O; Thorsteinson, N; Fallahi, M; Hammond, GL An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin. J Med Chem 51:2047-56 (2008) [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:
BDBM50423503
Synonyms:
CHEMBL408649
Type:
Small organic molecule
Emp. Form.:
C18H34O2
Mol. Mass.:
282.4614
SMILES:
CC[C@@H]([C@@H](CC)C1CCC(O)CC1)C1CCC(O)CC1 |wU:3.3,2.1,(32.65,-8.73,;31.32,-9.5,;29.98,-8.73,;28.65,-9.49,;28.65,-11.03,;29.98,-11.81,;27.32,-8.72,;27.33,-7.19,;26.01,-6.41,;24.67,-7.18,;23.34,-6.4,;24.66,-8.72,;25.99,-9.5,;29.99,-7.19,;28.65,-6.42,;28.65,-4.87,;29.99,-4.09,;29.98,-2.55,;31.33,-4.87,;31.33,-6.42,)|
Structure:
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