Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50202092' 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)) | BDBM50202092
(CHEMBL386029 | N-[(E)-5-fluoro-2-adamantyl]-2-{4-[...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@](F)(C4)C3)CC1 |r,wU:18.18,wD:25.27,TLB:18:19:27:22.23.24,17:18:27.21.22:24,THB:20:21:24:28.19.18,20:19:27.21.22:24,18:23:27:28.20.19,(7.79,-3.68,;6.48,-2.88,;5.67,-4.19,;7.31,-1.58,;5.18,-2.06,;3.82,-2.77,;2.52,-1.94,;2.59,-.41,;3.95,.31,;5.25,-.51,;1.29,.42,;-.05,-.34,;-1.37,.43,;-1.36,1.98,;-2.7,2.72,;-4.02,1.93,;-4,.39,;-5.37,2.68,;-6.69,1.89,;-6.77,.36,;-7.84,-.87,;-9.22,-.24,;-9.15,1.34,;-8.06,2.53,;-9.43,2.11,;-9.48,.63,;-10.85,1.23,;-10.74,-.6,;-8.18,.08,;-.04,2.74,;1.3,1.96,)| Show InChI InChI=1S/C22H28F4N4O/c23-21-9-14-7-15(10-21)20(16(8-14)11-21)28-19(31)13-29-3-5-30(6-4-29)18-2-1-17(12-27-18)22(24,25)26/h1-2,12,14-16,20H,3-11,13H2,(H,28,31)/t14?,15?,16?,20-,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50202092
(CHEMBL386029 | N-[(E)-5-fluoro-2-adamantyl]-2-{4-[...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@](F)(C4)C3)CC1 |r,wU:18.18,wD:25.27,TLB:18:19:27:22.23.24,17:18:27.21.22:24,THB:20:21:24:28.19.18,20:19:27.21.22:24,18:23:27:28.20.19,(7.79,-3.68,;6.48,-2.88,;5.67,-4.19,;7.31,-1.58,;5.18,-2.06,;3.82,-2.77,;2.52,-1.94,;2.59,-.41,;3.95,.31,;5.25,-.51,;1.29,.42,;-.05,-.34,;-1.37,.43,;-1.36,1.98,;-2.7,2.72,;-4.02,1.93,;-4,.39,;-5.37,2.68,;-6.69,1.89,;-6.77,.36,;-7.84,-.87,;-9.22,-.24,;-9.15,1.34,;-8.06,2.53,;-9.43,2.11,;-9.48,.63,;-10.85,1.23,;-10.74,-.6,;-8.18,.08,;-.04,2.74,;1.3,1.96,)| Show InChI InChI=1S/C22H28F4N4O/c23-21-9-14-7-15(10-21)20(16(8-14)11-21)28-19(31)13-29-3-5-30(6-4-29)18-2-1-17(12-27-18)22(24,25)26/h1-2,12,14-16,20H,3-11,13H2,(H,28,31)/t14?,15?,16?,20-,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202092
(CHEMBL386029 | N-[(E)-5-fluoro-2-adamantyl]-2-{4-[...)Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@](F)(C4)C3)CC1 |r,wU:18.18,wD:25.27,TLB:18:19:27:22.23.24,17:18:27.21.22:24,THB:20:21:24:28.19.18,20:19:27.21.22:24,18:23:27:28.20.19,(7.79,-3.68,;6.48,-2.88,;5.67,-4.19,;7.31,-1.58,;5.18,-2.06,;3.82,-2.77,;2.52,-1.94,;2.59,-.41,;3.95,.31,;5.25,-.51,;1.29,.42,;-.05,-.34,;-1.37,.43,;-1.36,1.98,;-2.7,2.72,;-4.02,1.93,;-4,.39,;-5.37,2.68,;-6.69,1.89,;-6.77,.36,;-7.84,-.87,;-9.22,-.24,;-9.15,1.34,;-8.06,2.53,;-9.43,2.11,;-9.48,.63,;-10.85,1.23,;-10.74,-.6,;-8.18,.08,;-.04,2.74,;1.3,1.96,)| Show InChI InChI=1S/C22H28F4N4O/c23-21-9-14-7-15(10-21)20(16(8-14)11-21)28-19(31)13-29-3-5-30(6-4-29)18-2-1-17(12-27-18)22(24,25)26/h1-2,12,14-16,20H,3-11,13H2,(H,28,31)/t14?,15?,16?,20-,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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells by FPIA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this Ligand-Target Pair | |