Found 4 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50192679' 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)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062 BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062 BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD1 |
Bioorg Med Chem Lett 18: 2479-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | 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 | 8 | 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 HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062 BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this Ligand-Target Pair | |