Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50202097
Substrate
n/a
Meas. Tech.
ChEMBL_423354 (CHEMBL909895)
Ki
8±n/a nM
Citation
Rohde, JJ; Pliushchev, MA; Sorensen, BK; Wodka, D; Shuai, Q; Wang, J; Fung, S; Monzon, KM; Chiou, WJ; Pan, L; Deng, X; Chovan, LE; Ramaiya, A; Mullally, M; Henry, RF; Stolarik, DF; Imade, HM; Marsh, KC; Beno, DW; Fey, TA; Droz, BA; Brune, ME; Camp, HS; Sham, HL; Frevert, EU; Jacobson, PB; Link, JT Discovery and metabolic stabilization of potent and selective 2-amino-N-(adamant-2-yl) acetamide 11beta-hydroxysteroid dehydrogenase type 1 inhibitors. J Med Chem 50:149-64 (2007) [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:
BDBM50202097
Synonyms:
CHEMBL424937 | N-[(E)-5-hydroxy-2-adamantyl]-2-methyl-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propanamide
Type:
Small organic molecule
Emp. Form.:
C24H33F3N4O2
Mol. Mass.:
466.5396
SMILES:
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.23,wD:29.32,TLB:22:23:31:26.27.28,21:22:31.25.26:28,THB:24:25:28:32.23.22,24:23:31.25.26:28,22:27:31:32.24.23,(20.61,-48.3,;19.75,-47.03,;18.89,-45.75,;21.02,-46.15,;22.39,-46.86,;23.68,-46.03,;23.61,-44.49,;22.24,-43.79,;20.94,-44.62,;24.94,-43.71,;26.27,-44.47,;27.6,-43.69,;27.58,-42.15,;26.23,-41.39,;24.91,-42.18,;28.91,-41.36,;30.21,-40.56,;29.7,-42.68,;28.12,-40.04,;18.46,-47.89,;18.49,-49.43,;17.12,-47.14,;15.8,-47.93,;15.72,-49.46,;14.65,-50.69,;13.27,-50.06,;13.33,-48.48,;14.43,-47.29,;13.06,-47.71,;13,-49.19,;11.69,-48.37,;11.75,-50.41,;14.31,-49.74,)|