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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306417
Substrate
n/a
Meas. Tech.
ChEMBL_609882 (CHEMBL1073438)
IC50
2.7±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:
BDBM50306417
Synonyms:
CHEMBL596621 | N-(adamantan-2-yl)-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H32N2O
Mol. Mass.:
364.5237
SMILES:
O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1 |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,(32.76,-22.58,;32.8,-21.03,;31.48,-20.22,;30.13,-20.96,;30.12,-22.49,;28.72,-22.84,;27.39,-22.35,;26.19,-23.63,;27.69,-23.21,;29.1,-23.77,;27.68,-21.61,;28.73,-20.38,;27.37,-20.86,;34.16,-20.29,;35.47,-21.11,;36.82,-20.38,;36.88,-18.83,;37.14,-17.31,;38.67,-17.1,;39.35,-18.48,;40.82,-18.9,;41.19,-20.38,;40.09,-21.45,;38.62,-21.03,;38.24,-19.55,;35.56,-18.02,;34.19,-18.75,)|
Structure:
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