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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394006
Substrate
n/a
Meas. Tech.
ChEMBL_855921 (CHEMBL2161684)
IC50
22±n/a nM
Citation
 Scott, JS; Gill, AL; Godfrey, L; Groombridge, SD; Rees, A; Revill, J; Schofield, P; Sörme, P; Stocker, A; Swales, JG; Whittamore, PR Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors. Bioorg Med Chem Lett 22:6756-61 (2012) [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:
BDBM50394006
Synonyms:
CHEMBL2158532
Type:
Small organic molecule
Emp. Form.:
C24H34N4O3
Mol. Mass.:
426.5518
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.29.3,29:28:6:4.3.2,THB:8:7:6:4.3.2,29:3:7.28.30:6,2:3:7:30.1.6,2:1:7:4.29.3,(6.13,-38.89,;6.14,-40.43,;7.55,-40.99,;7.57,-42.51,;6.18,-42.89,;4.84,-42.42,;4.8,-40.94,;3.67,-43.73,;2.34,-44.5,;1.01,-43.74,;1,-42.2,;-.33,-44.51,;-1.66,-43.75,;-2.99,-44.52,;-2.99,-46.06,;-1.66,-46.84,;-.32,-46.06,;.92,-46.98,;.91,-48.51,;2.38,-49,;3.29,-47.75,;2.39,-46.5,;-4.32,-46.84,;-5.66,-46.06,;-6.99,-46.82,;-7,-48.36,;-5.66,-49.14,;-4.32,-48.37,;5.16,-43.27,;6.58,-43.81,;5.13,-41.68,)|
Structure:
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