Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50394012' 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)) | BDBM50394012
(CHEMBL2158465)Show SMILES CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(18.17,-16.91,;16.83,-17.69,;15.5,-16.92,;15.5,-15.38,;14.16,-14.61,;12.83,-15.38,;11.49,-14.61,;10.16,-15.38,;11.49,-13.07,;12.82,-12.3,;14.16,-13.06,;15.49,-12.28,;15.48,-10.74,;16.82,-13.05,;18.15,-12.28,;19.32,-10.97,;20.66,-11.43,;22.05,-11.06,;21.06,-12.36,;19.64,-11.82,;19.61,-10.23,;20.62,-8.98,;20.61,-7.44,;22.03,-9.53,;19.29,-9.48,)| Show InChI InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)/t12?,13?,14?,16-,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394012
(CHEMBL2158465)Show SMILES CCCSc1nc(C)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:18:19:24:16.17.23,18:17:14.19.20:24,22:21:14:16.18.17,THB:13:14:24:16.17.23,23:17:14:20.21.24,23:21:14:16.18.17,(18.17,-16.91,;16.83,-17.69,;15.5,-16.92,;15.5,-15.38,;14.16,-14.61,;12.83,-15.38,;11.49,-14.61,;10.16,-15.38,;11.49,-13.07,;12.82,-12.3,;14.16,-13.06,;15.49,-12.28,;15.48,-10.74,;16.82,-13.05,;18.15,-12.28,;19.32,-10.97,;20.66,-11.43,;22.05,-11.06,;21.06,-12.36,;19.64,-11.82,;19.61,-10.23,;20.62,-8.98,;20.61,-7.44,;22.03,-9.53,;19.29,-9.48,)| Show InChI InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)/t12?,13?,14?,16-,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 | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this Ligand-Target Pair | |