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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394007
Substrate
n/a
Meas. Tech.
ChEMBL_855921 (CHEMBL2161684)
IC50
80±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:
BDBM50394007
Synonyms:
CHEMBL2158533
Type:
Small organic molecule
Emp. Form.:
C25H36N4O3
Mol. Mass.:
440.5783
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCCCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.30.3,30:29:6:4.3.2,THB:8:7:6:4.3.2,30:3:7.29.31:6,2:3:7:31.1.6,2:1:7:4.30.3,(25.8,-38.85,;25.82,-40.4,;27.22,-40.95,;27.24,-42.48,;25.85,-42.85,;24.52,-42.39,;24.48,-40.9,;23.35,-43.69,;22.02,-44.47,;20.68,-43.7,;20.68,-42.16,;19.35,-44.48,;18.02,-43.71,;16.69,-44.48,;16.68,-46.03,;18.02,-46.8,;19.36,-46.03,;20.69,-46.8,;20.69,-48.34,;22.01,-49.1,;23.35,-48.34,;23.35,-46.8,;22.01,-46.02,;15.35,-46.8,;14.02,-46.03,;12.69,-46.79,;12.68,-48.33,;14.01,-49.1,;15.36,-48.34,;24.84,-43.24,;26.25,-43.77,;24.8,-41.65,)|
Structure:
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