Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329313
Substrate
n/a
Meas. Tech.
ChEMBL_675393 (CHEMBL1273473)
IC50
0.5±n/a nM
Citation
 Tice, CMZhao, WKrosky, PMKruk, BABerbaum, JJohnson, JABukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGHoward, LTogias, JYe, YJSingh, SBMcKeever, BMLindblom, PRGuo, JGuo, RNar, HSchuler-Metz, AGregg, RELeftheris, KHarrison, RKMcGeehan, GMZhuang, LClaremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett 20:6725-9 (2010) [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:
BDBM50329313
Synonyms:
(S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1271428
Type:
Small organic molecule
Emp. Form.:
C22H27F3N4O3
Mol. Mass.:
452.47
SMILES:
NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
Structure:
Search PDB for entries with ligand similarity: