Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50306425
Substrate
n/a
Meas. Tech.
ChEMBL_609881 (CHEMBL1073437)
IC50
7.6±n/a nM
Citation
 Tice, CM; Zhao, W; Xu, Z; Cacatian, ST; Simpson, RD; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, P; Guo, J; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JJ; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Zhuang, L; McGeehan, GM; He, W; Claremon, DA Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design. Bioorg Med Chem Lett 20:881-6 (2010) [PubMed]  Article 
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:
BDBM50306425
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL605756
Type:
Small organic molecule
Emp. Form.:
C27H36N2O3
Mol. Mass.:
436.5863
SMILES:
Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12 |TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(38.07,-13.73,;39.3,-12.81,;40.71,-13.41,;41.94,-12.48,;41.75,-10.96,;40.34,-10.37,;39.84,-8.91,;40.62,-7.57,;42.16,-7.57,;42.93,-8.91,;42.94,-6.23,;38.3,-8.94,;37.85,-10.41,;37.8,-11.95,;36.44,-12.68,;35.13,-11.87,;35.16,-10.33,;36.53,-9.6,;33.78,-12.61,;33.73,-14.15,;32.46,-11.8,;31.1,-12.54,;31.09,-14.07,;29.69,-14.42,;28.37,-13.92,;27.17,-15.2,;28.66,-14.78,;30.07,-15.35,;28.66,-13.19,;29.7,-11.96,;28.35,-12.44,;39.12,-11.29,)|
Structure:
Search PDB for entries with ligand similarity: