Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM119227
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Assay
IC50
6±n/a nM
Citation
 McCoull, W; Packer, M; Scott, JS; Whittamore, PR Chemical compounds US Patent  US8673938 Publication Date 3/18/2014 
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:
BDBM119227
Synonyms:
US8673938, 162
Type:
Small organic molecule
Emp. Form.:
C27H39N3O3
Mol. Mass.:
453.6169
SMILES:
CCCCc1nc(ccc1C(=O)NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](CC(O)=O)C1 |r,wU:27.31,TLB:12:13:20:17.16.22,15:16:20:14.19.13,THB:15:14:20:17.16.22,13:14:17:20.21.22,13:21:17:14.15.19,(3.45,-4.93,;3.45,-3.39,;2.11,-2.62,;2.11,-1.08,;.78,-.31,;-.56,-1.08,;-1.89,-.31,;-1.89,1.23,;-.56,2,;.78,1.23,;2.11,2,;2.11,3.54,;3.45,1.23,;4.78,2,;5.66,3.93,;6.82,4.93,;8.27,4.43,;8.56,2.92,;7.39,1.91,;5.94,2.42,;6.49,.04,;6.07,1.52,;7.88,3.1,;-3.22,-1.08,;-3.22,-2.62,;-4.56,-3.39,;-5.89,-2.62,;-5.89,-1.08,;-7.22,-.31,;-7.22,1.23,;-5.89,2,;-8.56,2,;-4.56,-.31,)|
Structure:
Search PDB for entries with ligand similarity: