Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400170' 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)) | BDBM50400170
(CHEMBL2179023)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,17.17,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(56.54,-4.17,;55.01,-4.15,;53.97,-3.03,;52.55,-3.58,;51.9,-4.85,;52.93,-5.93,;54.23,-5.37,;52.94,-7.67,;51.61,-8.45,;50.27,-7.68,;50.27,-6.14,;48.94,-8.46,;47.61,-7.69,;46.28,-8.46,;46.27,-10.01,;44.94,-10.78,;43.61,-10,;42.27,-10.77,;42.12,-12.3,;40.61,-12.62,;39.85,-11.29,;40.88,-10.14,;47.61,-10.78,;48.95,-10.01,;50.28,-10.77,;50.45,-12.3,;51.95,-12.62,;52.72,-11.28,;51.69,-10.14,;53.74,-6.34,;52.57,-5.02,;55.15,-5.78,)| Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m1/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 | 22 | 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)) | BDBM50400170
(CHEMBL2179023)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,17.17,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(56.54,-4.17,;55.01,-4.15,;53.97,-3.03,;52.55,-3.58,;51.9,-4.85,;52.93,-5.93,;54.23,-5.37,;52.94,-7.67,;51.61,-8.45,;50.27,-7.68,;50.27,-6.14,;48.94,-8.46,;47.61,-7.69,;46.28,-8.46,;46.27,-10.01,;44.94,-10.78,;43.61,-10,;42.27,-10.77,;42.12,-12.3,;40.61,-12.62,;39.85,-11.29,;40.88,-10.14,;47.61,-10.78,;48.95,-10.01,;50.28,-10.77,;50.45,-12.3,;51.95,-12.62,;52.72,-11.28,;51.69,-10.14,;53.74,-6.34,;52.57,-5.02,;55.15,-5.78,)| Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m1/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 | 42 | 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 | |