Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50448700' 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)) | BDBM50448700
(CHEMBL3127862)Show SMILES OCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(2.26,-7.56,;3.42,-6.55,;4.87,-7.05,;6.03,-6.04,;7.49,-6.54,;7.94,-8.01,;9.48,-8.03,;10.37,-9.28,;10.51,-10.82,;11.77,-9.93,;9.98,-6.57,;8.75,-5.65,;11.31,-5.8,;11.31,-4.26,;12.65,-6.56,;13.98,-5.79,;15.48,-5.4,;15.5,-3.81,;16.57,-2.6,;15.21,-3.05,;15.19,-4.54,;16.51,-5.05,;17.92,-4.73,;19.46,-4.69,;17.96,-3.2,;16.88,-5.99,)| Show InChI InChI=1S/C19H26N2O4S/c22-3-4-25-18-21-15(11-1-2-11)16(26-18)17(23)20-14-12-5-10-6-13(14)9-19(24,7-10)8-12/h10-14,22,24H,1-9H2,(H,20,23)/t10?,12?,13?,14-,19- | 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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50448700
(CHEMBL3127862)Show SMILES OCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(2.26,-7.56,;3.42,-6.55,;4.87,-7.05,;6.03,-6.04,;7.49,-6.54,;7.94,-8.01,;9.48,-8.03,;10.37,-9.28,;10.51,-10.82,;11.77,-9.93,;9.98,-6.57,;8.75,-5.65,;11.31,-5.8,;11.31,-4.26,;12.65,-6.56,;13.98,-5.79,;15.48,-5.4,;15.5,-3.81,;16.57,-2.6,;15.21,-3.05,;15.19,-4.54,;16.51,-5.05,;17.92,-4.73,;19.46,-4.69,;17.96,-3.2,;16.88,-5.99,)| Show InChI InChI=1S/C19H26N2O4S/c22-3-4-25-18-21-15(11-1-2-11)16(26-18)17(23)20-14-12-5-10-6-13(14)9-19(24,7-10)8-12/h10-14,22,24H,1-9H2,(H,20,23)/t10?,12?,13?,14-,19- | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this Ligand-Target Pair | |