Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400159' 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)) | BDBM50400159
(CHEMBL2179443)Show SMILES CC(C)Oc1nc(N[C@H]2CCOC2)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.20,8.7,wD:26.29,TLB:27:26:19:23.22.21,18:19:29.25.26:23.22.21,18:19:21:29.26.28,THB:27:26:19.24.23:21,28:26:19:23.22.21,28:22:19:29.25.26,25:24:21:29.26.28,25:26:19.24.23:21,(27.91,-54.7,;26.58,-53.93,;25.24,-54.71,;26.57,-52.39,;25.24,-51.63,;23.9,-52.4,;22.57,-51.63,;21.23,-52.4,;19.9,-51.63,;18.49,-52.26,;17.46,-51.11,;18.23,-49.78,;19.74,-50.1,;22.57,-50.08,;23.9,-49.31,;25.23,-50.08,;26.56,-49.3,;26.56,-47.76,;27.9,-50.07,;29.23,-49.29,;29.22,-47.55,;28.19,-46.47,;28.84,-45.2,;28.86,-46.64,;30.03,-47.96,;31.44,-47.4,;31.3,-45.77,;32.83,-45.79,;30.26,-44.65,;30.52,-46.99,)| Show InChI InChI=1S/C22H32N4O4/c1-12(2)30-20-17(10-23-21(26-20)24-16-3-4-29-11-16)19(27)25-18-14-5-13-6-15(18)9-22(28,7-13)8-14/h10,12-16,18,28H,3-9,11H2,1-2H3,(H,25,27)(H,23,24,26)/t13?,14?,15?,16-,18-,22-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human 11beta-HSD1 by HTRF assay |
J Med Chem 55: 10652-61 (2012)
Article DOI: 10.1021/jm3013163 BindingDB Entry DOI: 10.7270/Q2BG2Q4S |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50400159
(CHEMBL2179443)Show SMILES CC(C)Oc1nc(N[C@H]2CCOC2)ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.20,8.7,wD:26.29,TLB:27:26:19:23.22.21,18:19:29.25.26:23.22.21,18:19:21:29.26.28,THB:27:26:19.24.23:21,28:26:19:23.22.21,28:22:19:29.25.26,25:24:21:29.26.28,25:26:19.24.23:21,(27.91,-54.7,;26.58,-53.93,;25.24,-54.71,;26.57,-52.39,;25.24,-51.63,;23.9,-52.4,;22.57,-51.63,;21.23,-52.4,;19.9,-51.63,;18.49,-52.26,;17.46,-51.11,;18.23,-49.78,;19.74,-50.1,;22.57,-50.08,;23.9,-49.31,;25.23,-50.08,;26.56,-49.3,;26.56,-47.76,;27.9,-50.07,;29.23,-49.29,;29.22,-47.55,;28.19,-46.47,;28.84,-45.2,;28.86,-46.64,;30.03,-47.96,;31.44,-47.4,;31.3,-45.77,;32.83,-45.79,;30.26,-44.65,;30.52,-46.99,)| Show InChI InChI=1S/C22H32N4O4/c1-12(2)30-20-17(10-23-21(26-20)24-16-3-4-29-11-16)19(27)25-18-14-5-13-6-15(18)9-22(28,7-13)8-14/h10,12-16,18,28H,3-9,11H2,1-2H3,(H,25,27)(H,23,24,26)/t13?,14?,15?,16-,18-,22-/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of mouse 11beta-HSD1 by HTRF assay |
J Med Chem 55: 10652-61 (2012)
Article DOI: 10.1021/jm3013163 BindingDB Entry DOI: 10.7270/Q2BG2Q4S |
More data for this Ligand-Target Pair | |