Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50394014' 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)) | BDBM50394014
(CHEMBL2158467)Show SMILES CCCSc1nc(NC)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(21.02,-29.8,;19.69,-30.57,;18.35,-29.81,;18.35,-28.27,;17.02,-27.5,;15.68,-28.27,;14.35,-27.5,;13.01,-28.27,;11.68,-27.5,;14.35,-25.95,;15.68,-25.18,;17.01,-25.95,;18.34,-25.17,;18.34,-23.63,;19.68,-25.94,;21.01,-25.16,;22.18,-23.86,;23.51,-24.32,;24.9,-23.95,;23.91,-25.24,;22.5,-24.71,;22.46,-23.12,;23.48,-21.87,;23.47,-20.32,;24.88,-22.42,;22.14,-22.37,)| Show InChI InChI=1S/C19H28N4O2S/c1-3-4-26-17-14(10-21-18(20-2)23-17)16(24)22-15-12-5-11-6-13(15)9-19(25,7-11)8-12/h10-13,15,25H,3-9H2,1-2H3,(H,22,24)(H,20,21,23)/t11?,12?,13?,15-,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 | 4 | 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)) | BDBM50394014
(CHEMBL2158467)Show SMILES CCCSc1nc(NC)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.15,wD:22.24,TLB:19:20:25:17.18.24,19:18:15.20.21:25,23:22:15:17.19.18,THB:14:15:25:17.18.24,24:18:15:21.22.25,24:22:15:17.19.18,(21.02,-29.8,;19.69,-30.57,;18.35,-29.81,;18.35,-28.27,;17.02,-27.5,;15.68,-28.27,;14.35,-27.5,;13.01,-28.27,;11.68,-27.5,;14.35,-25.95,;15.68,-25.18,;17.01,-25.95,;18.34,-25.17,;18.34,-23.63,;19.68,-25.94,;21.01,-25.16,;22.18,-23.86,;23.51,-24.32,;24.9,-23.95,;23.91,-25.24,;22.5,-24.71,;22.46,-23.12,;23.48,-21.87,;23.47,-20.32,;24.88,-22.42,;22.14,-22.37,)| Show InChI InChI=1S/C19H28N4O2S/c1-3-4-26-17-14(10-21-18(20-2)23-17)16(24)22-15-12-5-11-6-13(15)9-19(25,7-11)8-12/h10-13,15,25H,3-9H2,1-2H3,(H,22,24)(H,20,21,23)/t11?,12?,13?,15-,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 | 29 | 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 | |