Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400165' 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)) | BDBM50400165
(CHEMBL2179028)Show SMILES C[C@@H](O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:12.11,1.1,wD:19.20,TLB:20:19:12:16.15.14,11:12:22.18.19:16.15.14,11:12:14:22.19.21,THB:20:19:12.17.16:14,21:19:12:16.15.14,21:15:12:22.18.19,18:17:14:22.19.21,18:19:12.17.16:14,(60.94,-27.35,;60.94,-25.81,;59.6,-25.04,;62.27,-25.04,;63.61,-25.81,;64.94,-25.04,;64.94,-23.5,;66.27,-22.73,;67.61,-23.49,;68.94,-22.71,;68.93,-21.17,;70.27,-23.48,;71.6,-22.7,;71.6,-20.96,;70.56,-19.88,;71.21,-18.61,;71.24,-20.05,;72.4,-21.38,;73.82,-20.81,;73.67,-19.19,;75.21,-19.2,;72.63,-18.07,;72.89,-20.4,;67.61,-25.04,;66.27,-25.81,;68.95,-25.81,;69.11,-27.33,;70.62,-27.65,;71.39,-26.32,;70.35,-25.17,)| Show InChI InChI=1S/C23H34N4O3/c1-13(28)11-24-22-25-12-18(20(27-22)15-4-2-3-5-15)21(29)26-19-16-6-14-7-17(19)10-23(30,8-14)9-16/h12-17,19,28,30H,2-11H2,1H3,(H,26,29)(H,24,25,27)/t13-,14?,16?,17?,19-,23-/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 | 26 | 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)) | BDBM50400165
(CHEMBL2179028)Show SMILES C[C@@H](O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:12.11,1.1,wD:19.20,TLB:20:19:12:16.15.14,11:12:22.18.19:16.15.14,11:12:14:22.19.21,THB:20:19:12.17.16:14,21:19:12:16.15.14,21:15:12:22.18.19,18:17:14:22.19.21,18:19:12.17.16:14,(60.94,-27.35,;60.94,-25.81,;59.6,-25.04,;62.27,-25.04,;63.61,-25.81,;64.94,-25.04,;64.94,-23.5,;66.27,-22.73,;67.61,-23.49,;68.94,-22.71,;68.93,-21.17,;70.27,-23.48,;71.6,-22.7,;71.6,-20.96,;70.56,-19.88,;71.21,-18.61,;71.24,-20.05,;72.4,-21.38,;73.82,-20.81,;73.67,-19.19,;75.21,-19.2,;72.63,-18.07,;72.89,-20.4,;67.61,-25.04,;66.27,-25.81,;68.95,-25.81,;69.11,-27.33,;70.62,-27.65,;71.39,-26.32,;70.35,-25.17,)| Show InChI InChI=1S/C23H34N4O3/c1-13(28)11-24-22-25-12-18(20(27-22)15-4-2-3-5-15)21(29)26-19-16-6-14-7-17(19)10-23(30,8-14)9-16/h12-17,19,28,30H,2-11H2,1H3,(H,26,29)(H,24,25,27)/t13-,14?,16?,17?,19-,23-/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 | 67 | 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 | |