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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329317
Substrate
n/a
Meas. Tech.
ChEMBL_675393 (CHEMBL1273473)
IC50
7.6±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:
BDBM50329317
Synonyms:
(S)-3-(3-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1270002
Type:
Small organic molecule
Emp. Form.:
C22H27N5O3
Mol. Mass.:
409.4815
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(2.39,-49.17,;3.73,-48.39,;3.74,-46.85,;5.07,-49.17,;3.88,-50.45,;5.38,-50.03,;6.78,-50.59,;7.8,-49.31,;6.4,-49.66,;7.81,-47.79,;9.15,-47.03,;10.47,-47.81,;10.46,-49.35,;11.82,-47.05,;11.84,-45.51,;13.31,-45.06,;14.2,-46.32,;13.27,-47.55,;15.74,-46.34,;16.53,-45.02,;15.78,-43.69,;16.56,-42.36,;18.11,-42.39,;18.86,-43.73,;18.07,-45.05,;18.82,-46.4,;19.56,-47.74,;6.41,-47.21,;5.37,-48.44,;5.06,-47.69,)|
Structure:
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