Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50445576' 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)) | BDBM50445576
(CHEMBL3103439)Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)| Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445576
(CHEMBL3103439)Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)| Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29) | 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 | 158 | 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 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this Ligand-Target Pair | |