Found 2 hits for monomerid = 50400146 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50400146
(CHEMBL2179015)Show SMILES O[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:14.14,5.6,1.0,wD:21.23,TLB:22:21:14:18.17.16,13:14:24.20.21:18.17.16,13:14:16:24.21.23,THB:22:21:14.19.18:16,23:21:14:18.17.16,23:17:14:24.20.21,20:19:16:24.21.23,20:21:14.19.18:16,(40.19,-42.27,;39.04,-43.3,;37.54,-42.98,;36.76,-44.31,;37.79,-45.46,;39.2,-44.83,;40.54,-45.6,;41.87,-44.83,;41.87,-43.28,;43.2,-42.51,;44.54,-43.28,;45.87,-42.5,;45.86,-40.96,;47.2,-43.27,;48.54,-42.49,;48.53,-40.75,;47.5,-39.67,;48.15,-38.4,;48.17,-39.84,;49.34,-41.16,;50.75,-40.6,;50.61,-38.98,;52.14,-38.99,;49.56,-37.86,;49.83,-40.19,;44.54,-44.83,;43.21,-45.6,;45.88,-45.6,;46.04,-47.12,;47.55,-47.44,;48.32,-46.1,;47.28,-44.96,)| Show InChI InChI=1S/C25H36N4O3/c30-20-7-3-6-19(20)27-24-26-13-18(22(29-24)15-4-1-2-5-15)23(31)28-21-16-8-14-9-17(21)12-25(32,10-14)11-16/h13-17,19-21,30,32H,1-12H2,(H,28,31)(H,26,27,29)/t14?,16?,17?,19-,20+,21-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50400146
(CHEMBL2179015)Show SMILES O[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:14.14,5.6,1.0,wD:21.23,TLB:22:21:14:18.17.16,13:14:24.20.21:18.17.16,13:14:16:24.21.23,THB:22:21:14.19.18:16,23:21:14:18.17.16,23:17:14:24.20.21,20:19:16:24.21.23,20:21:14.19.18:16,(40.19,-42.27,;39.04,-43.3,;37.54,-42.98,;36.76,-44.31,;37.79,-45.46,;39.2,-44.83,;40.54,-45.6,;41.87,-44.83,;41.87,-43.28,;43.2,-42.51,;44.54,-43.28,;45.87,-42.5,;45.86,-40.96,;47.2,-43.27,;48.54,-42.49,;48.53,-40.75,;47.5,-39.67,;48.15,-38.4,;48.17,-39.84,;49.34,-41.16,;50.75,-40.6,;50.61,-38.98,;52.14,-38.99,;49.56,-37.86,;49.83,-40.19,;44.54,-44.83,;43.21,-45.6,;45.88,-45.6,;46.04,-47.12,;47.55,-47.44,;48.32,-46.1,;47.28,-44.96,)| Show InChI InChI=1S/C25H36N4O3/c30-20-7-3-6-19(20)27-24-26-13-18(22(29-24)15-4-1-2-5-15)23(31)28-21-16-8-14-9-17(21)12-25(32,10-14)11-16/h13-17,19-21,30,32H,1-12H2,(H,28,31)(H,26,27,29)/t14?,16?,17?,19-,20+,21-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia 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 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 | |