Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195291
Substrate
n/a
Meas. Tech.
ChEMBL_424846 (CHEMBL907396)
Ki
9±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:
BDBM50195291
Synonyms:
4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionylamino}-adamantane-1-carboxylic acid amide | CHEMBL222670
Type:
Small organic molecule
Emp. Form.:
C25H34F3N5O2
Mol. Mass.:
493.565
SMILES:
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:25.27,29.36,TLB:21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(-.43,-31.93,;.38,-33.24,;1.71,-32.46,;1.2,-34.54,;.46,-35.9,;1.27,-37.21,;2.81,-37.16,;3.54,-35.81,;2.72,-34.49,;3.61,-38.47,;2.88,-39.82,;3.68,-41.13,;5.22,-41.09,;5.95,-39.73,;5.15,-38.42,;6.02,-42.4,;6.78,-43.73,;7.35,-41.62,;4.68,-43.16,;-.9,-34.09,;-.81,-35.62,;-2.28,-33.4,;-3.56,-34.25,;-3.58,-35.78,;-4.59,-37.06,;-5.99,-36.49,;-6,-34.9,;-4.96,-33.67,;-6.31,-34.15,;-6.3,-35.64,;-7.5,-36.91,;-4.97,-36.13,;-7.84,-35.63,;-8.62,-36.96,;-8.6,-34.29,)|
Structure:
Search PDB for entries with ligand similarity: