Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329290
Substrate
n/a
Meas. Tech.
ChEMBL_675392 (CHEMBL1273472)
IC50
6.4±n/a nM
Citation
Tice, CM; Zhao, W; Krosky, PM; Kruk, BA; Berbaum, J; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Howard, L; Togias, J; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, PR; Guo, J; Guo, R; Nar, H; Schuler-Metz, A; Gregg, RE; Leftheris, K; Harrison, RK; McGeehan, GM; Zhuang, L; Claremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett 20:6725-9 (2010) [PubMed] Article
More Info.:
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:
BDBM50329290
Synonyms:
(R)-3-Isopropoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester | CHEMBL1270309
Type:
Small organic molecule
Emp. Form.:
C19H30N2O4
Mol. Mass.:
350.4525
SMILES:
CC(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:7.6,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(16.75,-5.72,;15.21,-5.69,;14.46,-4.34,;14.41,-7.01,;12.87,-6.99,;12.13,-5.64,;12.08,-8.31,;10.54,-8.28,;9.66,-7.02,;8.19,-7.47,;8.16,-9.02,;9.62,-9.51,;6.82,-9.78,;6.8,-11.32,;5.49,-9,;4.15,-9.75,;4.14,-11.28,;2.74,-11.63,;1.42,-11.14,;.22,-12.41,;1.72,-11.99,;3.13,-12.56,;1.72,-10.41,;2.76,-9.17,;1.41,-9.65,)|