Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM13771
Substrate
n/a
Meas. Tech.
ChEMBL_474247 (CHEMBL934096)
IC50
109.65±n/a nM
Citation
 Lee, JH; Kang, NS; Yoo, SE Docking-based 3D-QSAR study for 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 18:2479-90 (2008) [PubMed]  Article 
Target
Name:
11-beta-hydroxysteroid dehydrogenase 1
Synonyms:
11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:
Enzyme
Mol. Mass.:
32409.16
Organism:
Homo sapiens (Human)
Description:
P28845
Residue:
292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM13771
Synonyms:
2-{[(1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropanamido]adamantan-1-yl]methoxy}acetic acid | adamantane ether 25
Type:
Small organic molecule
Emp. Form.:
C23H30ClNO5
Mol. Mass.:
435.941
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](COCC(O)=O)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:29:21:18:16.15.14,THB:16:17:20:29.15.14,28:17:14:29.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;.24,-5.54,;-1.09,-6.31,;-2.43,-5.54,;-1.09,-7.85,;3.21,-7.32,;6.26,-7.03,)|
Structure:
Search PDB for entries with ligand similarity: