Reaction Details
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11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50595157
Substrate
n/a
Meas. Tech.
ChEMBL_2215659 (CHEMBL5128791)
IC50
3.0±n/a nM
Citation
Zhang, C; Xu, M; He, C; Zhuo, J; Burns, DM; Qian, DQ; Lin, Q; Li, YL; Chen, L; Shi, E; Agrios, C; Weng, L; Sharief, V; Jalluri, R; Li, Y; Scherle, P; Diamond, S; Hunter, D; Covington, M; Marando, C; Wynn, R; Katiyar, K; Contel, N; Vaddi, K; Yeleswaram, S; Hollis, G; Huber, R; Friedman, S; Metcalf, B; Yao, W Discovery of 1'-(1-phenylcyclopropane-carbonyl)-3H-spiro[isobenzofuran-1,3'-pyrrolidin]-3-one as a novel steroid mimetic scaffold for the potent and tissue-specific inhibition of 11?-HSD1 using a scaffold-hopping approach. Bioorg Med Chem Lett 69:0 (2022) [PubMed] 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:
BDBM50595157
Synonyms:
CHEMBL5188613
Type:
Small organic molecule
Emp. Form.:
C26H22N2O3
Mol. Mass.:
410.4645
SMILES:
O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1ccccn1 |r|
Structure:
