Reaction Details
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11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448697
Substrate
n/a
Meas. Tech.
ChEMBL_1297897 (CHEMBL3132110)
IC50
1.7±n/a nM
Citation
Goldberg, FW; Dossetter, AG; Scott, JS; Robb, GR; Boyd, S; Groombridge, SD; Kemmitt, PD; Sjögren, T; Gutierrez, PM; deSchoolmeester, J; Swales, JG; Turnbull, AV; Wild, MJ Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem 57:970-86 (2014) [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:
BDBM50448697
Synonyms:
CHEMBL3127858
Type:
Small organic molecule
Emp. Form.:
C23H32N2O5S
Mol. Mass.:
448.576
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1[C@H]1CCCO1)C(C3)C2 |r,wU:1.0,wD:7.8,23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(41.98,-39.31,;40.44,-39.34,;40.47,-37.81,;39.08,-37.21,;38.02,-38.42,;38,-40.01,;39.4,-40.6,;36.5,-40.4,;35.17,-41.18,;33.83,-40.41,;33.82,-38.87,;32.5,-41.19,;31.27,-40.26,;30.01,-41.15,;28.55,-40.65,;27.22,-41.43,;25.89,-40.66,;24.57,-41.43,;24.57,-42.97,;25.91,-43.74,;27.24,-42.97,;30.46,-42.62,;32,-42.64,;32.88,-43.9,;32.39,-45.36,;33.62,-46.28,;34.88,-45.4,;34.43,-43.92,;37.71,-39.15,;37.73,-37.66,;39.03,-39.66,)|
Structure:
