Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112138' 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)) | BDBM50112138
(CHEMBL3609866)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,13.14,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-4.66,-3.53,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m0/s1 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112138
(CHEMBL3609866)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,13.14,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-4.66,-3.53,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C20H26FN3O5S/c21-14-3-1-2-4-16(14)30(28,29)24-15(10-25)18(26)23-17-12-5-11-6-13(17)9-20(7-11,8-12)19(22)27/h1-4,11-13,15,17,24-25H,5-10H2,(H2,22,27)(H,23,26)/t11?,12?,13?,15-,17-,20?/m0/s1 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this Ligand-Target Pair | |