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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394011
Substrate
n/a
Meas. Tech.
ChEMBL_855921 (CHEMBL2161684)
IC50
7±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:
BDBM50394011
Synonyms:
CHEMBL2158464
Type:
Small organic molecule
Emp. Form.:
C20H28N2O2S
Mol. Mass.:
360.514
SMILES:
CCCSc1nc(C)ccc1C(=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,(1.43,-17.15,;.1,-17.92,;-1.24,-17.15,;-1.24,-15.61,;-2.58,-14.84,;-3.91,-15.62,;-5.25,-14.84,;-6.58,-15.61,;-5.24,-13.3,;-3.92,-12.53,;-2.58,-13.29,;-1.25,-12.52,;-1.26,-10.98,;.09,-13.28,;1.41,-12.51,;2.58,-11.2,;3.92,-11.67,;5.31,-11.29,;4.32,-12.59,;2.91,-12.05,;2.87,-10.46,;3.89,-9.21,;3.87,-7.67,;5.29,-9.77,;2.55,-9.72,)|
Structure:
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