Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50197415
Substrate
n/a
Meas. Tech.
ChEMBL_453205 (CHEMBL902359)
Ki
170±n/a nM
Citation
 Sorensen, B; Winn, M; Rohde, J; Shuai, Q; Wang, J; Fung, S; Monzon, K; Chiou, W; Stolarik, D; Imade, H; Pan, L; Deng, X; Chovan, L; Longenecker, K; Judge, R; Qin, W; Brune, M; Camp, H; Frevert, EU; Jacobson, P; Link, JT Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg Med Chem Lett 17:527-32 (2007) [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:
BDBM50197415
Synonyms:
CHEMBL246646 | N-(5-acetylsulfamoyl-adamantan-2-yl)-2-(4-chloro-phenoxy)-2-methyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C22H29ClN2O5S
Mol. Mass.:
468.994
SMILES:
CC(=O)NS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:9.9,11.11,28.30,wU:13.14,wD:7.6,TLB:10:11:8.9.29:30,THB:13:11:8:29.28.30,13:28:8:12.10.11,14:13:8.9.29:30,TEB:10:9:30:12.11.13,29:28:12:8.9.10,(15.58,-15.26,;17.07,-15.66,;18.16,-14.58,;17.46,-17.15,;18.95,-17.55,;19.36,-16.07,;18.55,-19.04,;20.45,-17.97,;19.25,-19.24,;20.75,-18.82,;22.16,-19.39,;23.17,-18.11,;21.78,-18.46,;23.18,-16.58,;24.47,-15.73,;25.85,-16.42,;25.94,-17.95,;27.13,-15.57,;26.31,-14.26,;27.94,-16.87,;28.46,-14.79,;29.8,-15.55,;29.8,-17.08,;31.14,-17.84,;32.47,-17.06,;33.81,-17.82,;32.45,-15.51,;31.12,-14.76,;21.79,-16,;20.75,-17.23,;20.44,-16.48,)|
Structure:
Search PDB for entries with ligand similarity: