Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50239631' 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)) | BDBM50239631
(CHEMBL4100730)Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CC(F)(F)C2)C2CC3CC(C2)CC1C3 |TLB:8:7:18.25.19:23.21.22,4:7:22:18.19.20,25:24:22:18.19.20,THB:8:7:22:18.19.20,4:7:18.25.19:23.21.22,25:19:7.24.23:22,20:19:7:23.21.22,20:21:7:18.25.19,(23.41,-40.89,;23.42,-39.35,;22.1,-38.56,;22.11,-37.02,;23.46,-36.27,;24.78,-37.04,;24.77,-38.58,;23.47,-34.73,;22.33,-33.7,;20.87,-34.18,;19.61,-33.26,;20.38,-35.64,;19,-36.34,;19.7,-37.71,;20.09,-39.2,;18.61,-38.81,;21.08,-37.01,;24.67,-33.45,;26,-33.94,;27.4,-33.6,;27.42,-32.07,;26.01,-31.49,;24.67,-31.97,;24.97,-32.73,;24.97,-34.32,;26.39,-34.88,)| Show InChI InChI=1S/C21H24F3NO/c22-18-3-1-15(2-4-18)21(10-19(26)25-11-20(23,24)12-25)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17H,5-12H2 | 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 | 3 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50239631
(CHEMBL4100730)Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CC(F)(F)C2)C2CC3CC(C2)CC1C3 |TLB:8:7:18.25.19:23.21.22,4:7:22:18.19.20,25:24:22:18.19.20,THB:8:7:22:18.19.20,4:7:18.25.19:23.21.22,25:19:7.24.23:22,20:19:7:23.21.22,20:21:7:18.25.19,(23.41,-40.89,;23.42,-39.35,;22.1,-38.56,;22.11,-37.02,;23.46,-36.27,;24.78,-37.04,;24.77,-38.58,;23.47,-34.73,;22.33,-33.7,;20.87,-34.18,;19.61,-33.26,;20.38,-35.64,;19,-36.34,;19.7,-37.71,;20.09,-39.2,;18.61,-38.81,;21.08,-37.01,;24.67,-33.45,;26,-33.94,;27.4,-33.6,;27.42,-32.07,;26.01,-31.49,;24.67,-31.97,;24.97,-32.73,;24.97,-34.32,;26.39,-34.88,)| Show InChI InChI=1S/C21H24F3NO/c22-18-3-1-15(2-4-18)21(10-19(26)25-11-20(23,24)12-25)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17H,5-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 89 | 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 | |