Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195296
Substrate
n/a
Meas. Tech.
ChEMBL_424846 (CHEMBL907396)
Ki
250±n/a nM
Citation
 Sorensen, B; Rohde, J; Wang, J; Fung, S; Monzon, K; Chiou, W; Pan, L; Deng, X; Stolarik, D; Frevert, EU; Jacobson, P; Link, JT Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction. Bioorg Med Chem Lett 16:5958-62 (2006) [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:
BDBM50195296
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopropanecarbonyl}-amino)-adamantane-1-carboxylic acid | CHEMBL222669
Type:
Small organic molecule
Emp. Form.:
C25H31F3N4O3
Mol. Mass.:
492.5338
SMILES:
OC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(16.09,-26.72,;14.76,-25.94,;13.42,-26.7,;14.77,-24.41,;13.27,-24.83,;14.46,-23.55,;14.46,-22.07,;15.8,-21.59,;14.76,-22.82,;17.2,-22.17,;18.48,-21.32,;19.86,-22,;19.95,-23.54,;21.14,-21.15,;20.74,-19.66,;22.23,-20.05,;21.96,-22.46,;21.22,-23.82,;22.03,-25.12,;23.57,-25.08,;24.29,-23.72,;23.48,-22.4,;24.37,-26.38,;23.64,-27.73,;24.44,-29.04,;25.98,-29,;26.71,-27.65,;25.91,-26.33,;26.78,-30.32,;27.54,-31.64,;28.11,-29.53,;25.44,-31.07,;17.19,-23.7,;15.79,-24.04,;16.17,-24.97,)|
Structure:
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