Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112132' 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
(Mus musculus (mouse)) | BDBM50112132
(CHEMBL3608412)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CCC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:30:22.21.23,21:22:31:30.19.20,21:20:31:17.22.23,THB:16:17:31:30.19.20,17:22:30:31.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;5.26,2.69,;5.96,1.68,;5.77,3.81,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C23H32FN3O4S/c1-22(2,27-32(30,31)18-6-4-3-5-17(18)24)21(29)26-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(25)28/h3-6,14-16,20,27H,7-13H2,1-2H3,(H2,25,28)(H,26,29)/t14?,15?,16?,20-,23? | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 543 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112132
(CHEMBL3608412)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CCC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:30:22.21.23,21:22:31:30.19.20,21:20:31:17.22.23,THB:16:17:31:30.19.20,17:22:30:31.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;5.26,2.69,;5.96,1.68,;5.77,3.81,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C23H32FN3O4S/c1-22(2,27-32(30,31)18-6-4-3-5-17(18)24)21(29)26-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(25)28/h3-6,14-16,20,27H,7-13H2,1-2H3,(H2,25,28)(H,26,29)/t14?,15?,16?,20-,23? | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this Ligand-Target Pair | |