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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329314
Substrate
n/a
Meas. Tech.
ChEMBL_675393 (CHEMBL1273473)
IC50
2.7±n/a nM
Citation
 Tice, CM; Zhao, W; Krosky, PM; Kruk, BA; Berbaum, J; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Howard, L; Togias, J; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, PR; Guo, J; Guo, R; Nar, H; Schuler-Metz, A; Gregg, RE; Leftheris, K; Harrison, RK; McGeehan, GM; Zhuang, L; Claremon, 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:
BDBM50329314
Synonyms:
(S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1269894
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)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-11.32,-46.08,;-9.96,-45.31,;-9.95,-43.77,;-8.62,-46.08,;-9.81,-47.36,;-8.31,-46.94,;-6.91,-47.5,;-5.89,-46.23,;-7.29,-46.57,;-5.88,-44.7,;-4.54,-43.94,;-3.22,-44.72,;-3.23,-46.26,;-1.87,-43.97,;-1.85,-42.42,;-.37,-41.97,;.51,-43.23,;-.42,-44.46,;2.05,-43.25,;2.84,-41.93,;4.38,-41.96,;5.17,-40.64,;4.42,-39.3,;2.88,-39.28,;2.09,-40.6,;5.21,-37.98,;6.75,-38,;4.46,-36.63,;5.97,-36.63,;-7.28,-44.12,;-8.32,-45.36,;-8.62,-44.6,)|
Structure:
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