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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM102431
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
57±0.0 nM
Citation
 Crespin, O; Nicolai, E; Venier, O Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I US Patent  US8536173 Publication Date 9/17/2013 
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:
BDBM102431
Synonyms:
US8536173, 6
Type:
Small organic molecule
Emp. Form.:
C34H45F3N6O2
Mol. Mass.:
626.7553
SMILES:
CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@@](C4)(C3)C(O)C(F)(F)F)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:31:30:23:25.27.26,THB:25:26:29:23.32.24,31:26:23:29.30.32,(-13.33,-.67,;-11.79,-.67,;-11.79,.87,;-11.79,-2.21,;-10.25,-.67,;-9.48,.67,;-7.94,.67,;-7.17,-.67,;-7.94,-2,;-9.48,-2,;-5.63,-.67,;-4.86,.67,;-3.32,.67,;-2.55,-.67,;-3.32,-2,;-4.86,-2,;-1.01,-.67,;-.24,-2,;1.3,-2,;2.07,-.67,;3.61,-.67,;4.38,.67,;4.38,-2,;5.92,-2,;6.69,-.67,;6.69,-2.06,;7.51,-2.06,;7.7,-2.82,;6.69,-3.33,;8.23,-3.33,;9,-2,;7.85,-1.3,;8.23,-.67,;10.54,-2,;11.63,-3.09,;11.31,-.67,;12.08,.67,;12.65,-1.44,;9.98,.1,;1.3,.67,;2.07,2,;1.3,3.33,;-.24,3.33,;-1.01,2,;-.24,.67,)|
Structure:
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