Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50202088
Substrate
n/a
Meas. Tech.
ChEMBL_423355 (CHEMBL909896)
Ki
51±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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
Inhibitor
Name:
BDBM50202088
Synonyms:
CHEMBL218142 | N-adamantan-2-yl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C22H29F3N4O
Mol. Mass.:
422.4871
SMILES:
FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(8.07,-13.61,;6.75,-12.84,;5.97,-14.17,;7.54,-11.52,;5.43,-12.05,;4.08,-12.79,;2.76,-12,;2.8,-10.46,;4.14,-9.71,;5.45,-10.5,;1.48,-9.67,;.16,-10.46,;-1.18,-9.72,;-1.21,-8.17,;-2.58,-7.47,;-3.88,-8.3,;-3.8,-9.84,;-5.25,-7.6,;-6.54,-8.44,;-6.57,-9.97,;-7.97,-10.3,;-9.29,-9.79,;-10.5,-11.05,;-9,-10.65,;-7.6,-11.23,;-8.98,-9.07,;-7.93,-7.84,;-9.28,-8.31,;.1,-7.38,;1.45,-8.12,)|