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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394012
Substrate
n/a
Meas. Tech.
ChEMBL_855921 (CHEMBL2161684)
IC50
10±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:
BDBM50394012
Synonyms:
CHEMBL2158465
Type:
Small organic molecule
Emp. Form.:
C19H27N3O2S
Mol. Mass.:
361.502
SMILES:
CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(18.17,-16.91,;16.83,-17.69,;15.5,-16.92,;15.5,-15.38,;14.16,-14.61,;12.83,-15.38,;11.49,-14.61,;10.16,-15.38,;11.49,-13.07,;12.82,-12.3,;14.16,-13.06,;15.49,-12.28,;15.48,-10.74,;16.82,-13.05,;18.15,-12.28,;19.32,-10.97,;20.66,-11.43,;22.05,-11.06,;21.06,-12.36,;19.64,-11.82,;19.61,-10.23,;20.62,-8.98,;20.61,-7.44,;22.03,-9.53,;19.29,-9.48,)|
Structure:
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