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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306416
Substrate
n/a
Meas. Tech.
ChEMBL_609881 (CHEMBL1073437)
IC50
0.7±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:
BDBM50306416
Synonyms:
CHEMBL596620 | N-(adamantan-2-yl)-1,3-dihydrospiro[indene-2,3'-piperidine]-1'-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H32N2O
Mol. Mass.:
364.5237
SMILES:
O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(13.65,-21.08,;13.69,-19.54,;12.38,-18.73,;11.02,-19.47,;11.01,-21,;9.61,-21.35,;8.29,-20.85,;7.09,-22.13,;8.59,-21.71,;10,-22.28,;8.58,-20.12,;9.62,-18.89,;8.27,-19.37,;15.05,-18.8,;15.08,-17.27,;16.44,-16.53,;17.76,-17.35,;17.7,-18.89,;17.49,-20.42,;18.87,-21.09,;19.3,-22.57,;20.79,-22.94,;21.86,-21.82,;21.43,-20.35,;19.94,-19.98,;19.22,-18.63,;16.35,-19.62,)|
Structure:
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