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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394023
Substrate
n/a
Meas. Tech.
ChEMBL_855921 (CHEMBL2161684)
IC50
847±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:
BDBM50394023
Synonyms:
CHEMBL2158476
Type:
Small organic molecule
Emp. Form.:
C22H31N3O2
Mol. Mass.:
369.5004
SMILES:
Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CCCC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(-7.86,-39.76,;-6.52,-38.99,;-6.52,-37.45,;-5.19,-36.68,;-3.86,-37.44,;-2.53,-36.67,;-2.53,-35.13,;-1.19,-37.43,;.14,-36.66,;1.31,-35.35,;2.65,-35.82,;4.04,-35.44,;3.05,-36.74,;1.63,-36.2,;1.59,-34.61,;2.61,-33.36,;2.6,-31.82,;4.02,-33.92,;1.27,-33.87,;-3.85,-38.99,;-2.52,-39.76,;-2.51,-41.3,;-3.76,-42.21,;-3.28,-43.67,;-1.74,-43.67,;-1.27,-42.21,;-5.19,-39.77,)|
Structure:
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