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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306418
Substrate
n/a
Meas. Tech.
ChEMBL_609881 (CHEMBL1073437)
IC50
41.6±n/a nM
Citation
 Tice, CM; Zhao, W; Xu, Z; Cacatian, ST; Simpson, RD; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, P; Guo, J; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JJ; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Zhuang, L; McGeehan, GM; He, W; Claremon, DA Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design. Bioorg Med Chem Lett 20:881-6 (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:
BDBM50306418
Synonyms:
4-Phenyl-piperidine-1,4-dicarboxylic acid 1-adamantan-2-ylamide 4-amide | CHEMBL605536
Type:
Small organic molecule
Emp. Form.:
C23H31N3O2
Mol. Mass.:
381.5111
SMILES:
NC(=O)C1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:12:13:16:19.20.21,12:20:16:14.18.13,11:12:16.17.19:21,(3.34,-33.13,;2.01,-33.9,;2.01,-35.44,;.68,-33.14,;.63,-34.68,;-.72,-35.4,;-2.03,-34.59,;-2,-33.06,;-.63,-32.33,;-3.38,-35.33,;-3.42,-36.87,;-4.69,-34.52,;-6.04,-35.26,;-6.05,-36.78,;-7.45,-37.13,;-8.77,-36.64,;-9.97,-37.92,;-8.47,-37.5,;-7.07,-38.06,;-8.48,-35.9,;-7.44,-34.68,;-8.79,-35.16,;1.44,-31.8,;2.98,-31.79,;3.74,-30.45,;2.96,-29.12,;1.41,-29.14,;.66,-30.48,)|
Structure:
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