Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50239619' 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)) | BDBM50239619
(CHEMBL4087497)Show SMILES COC12CC3CC(C1)C(CC(=O)N1CC(O)C1)(C(C3)C2)c1ccc(F)cc1 |TLB:18:17:7:5.4.3,20:8:5.18.4:19.2.7,20:8:7:5.4.3,THB:18:4:8.17.19:7,3:4:8:19.2.7,3:2:8:5.18.4,1:2:8:5.18.4,9:8:5.18.4:19.2.7,9:8:7:5.4.3,(28.8,-17.02,;27.27,-17.21,;26.66,-18.63,;28.07,-19.21,;28.05,-20.74,;26.65,-21.08,;25.33,-20.59,;25.32,-19.11,;24.13,-21.87,;22.99,-20.84,;21.52,-21.31,;20.27,-20.4,;21.04,-22.78,;19.66,-23.47,;20.36,-24.85,;19.88,-26.32,;21.74,-24.15,;25.63,-21.45,;27.04,-22.02,;25.62,-19.86,;24.12,-23.41,;22.77,-24.16,;22.76,-25.7,;24.08,-26.48,;24.07,-28.02,;25.43,-25.72,;25.44,-24.18,)| Show InChI InChI=1S/C22H28FNO3/c1-27-21-8-14-6-16(9-21)22(17(7-14)10-21,15-2-4-18(23)5-3-15)11-20(26)24-12-19(25)13-24/h2-5,14,16-17,19,25H,6-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after... |
J Med Chem 60: 4932-4948 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50239619
(CHEMBL4087497)Show SMILES COC12CC3CC(C1)C(CC(=O)N1CC(O)C1)(C(C3)C2)c1ccc(F)cc1 |TLB:18:17:7:5.4.3,20:8:5.18.4:19.2.7,20:8:7:5.4.3,THB:18:4:8.17.19:7,3:4:8:19.2.7,3:2:8:5.18.4,1:2:8:5.18.4,9:8:5.18.4:19.2.7,9:8:7:5.4.3,(28.8,-17.02,;27.27,-17.21,;26.66,-18.63,;28.07,-19.21,;28.05,-20.74,;26.65,-21.08,;25.33,-20.59,;25.32,-19.11,;24.13,-21.87,;22.99,-20.84,;21.52,-21.31,;20.27,-20.4,;21.04,-22.78,;19.66,-23.47,;20.36,-24.85,;19.88,-26.32,;21.74,-24.15,;25.63,-21.45,;27.04,-22.02,;25.62,-19.86,;24.12,-23.41,;22.77,-24.16,;22.76,-25.7,;24.08,-26.48,;24.07,-28.02,;25.43,-25.72,;25.44,-24.18,)| Show InChI InChI=1S/C22H28FNO3/c1-27-21-8-14-6-16(9-21)22(17(7-14)10-21,15-2-4-18(23)5-3-15)11-20(26)24-12-19(25)13-24/h2-5,14,16-17,19,25H,6-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 |
J Med Chem 60: 4932-4948 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23 |
More data for this Ligand-Target Pair | |