Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50294783' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294783
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
Bioorg Med Chem Lett 19: 2674-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50294783
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 in mouse liver microsome |
Bioorg Med Chem Lett 19: 2674-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50294783
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 in rat liver microsome |
Bioorg Med Chem Lett 19: 2674-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H |
More data for this Ligand-Target Pair | |