Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400139' 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)) | BDBM50400139
(CHEMBL2179449)Show SMILES CC(C)(O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(2.27,-22.39,;3.06,-21.06,;3.81,-22.39,;1.72,-20.29,;4.39,-20.29,;5.72,-21.07,;7.06,-20.3,;7.06,-18.75,;8.39,-17.98,;9.72,-18.75,;11.05,-17.97,;11.05,-16.43,;12.39,-18.74,;13.72,-17.96,;13.71,-16.22,;12.68,-15.14,;13.33,-13.87,;13.35,-15.31,;14.52,-16.63,;15.93,-16.07,;15.79,-14.44,;17.32,-14.46,;14.75,-13.32,;15.01,-15.66,;9.73,-20.3,;8.39,-21.07,;11.06,-21.06,;11.84,-22.4,;12.61,-21.06,)| Show InChI InChI=1S/C22H32N4O3/c1-21(2,28)11-24-20-23-10-16(18(26-20)13-3-4-13)19(27)25-17-14-5-12-6-15(17)9-22(29,7-12)8-14/h10,12-15,17,28-29H,3-9,11H2,1-2H3,(H,25,27)(H,23,24,26)/t12?,14?,15?,17-,22- | 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 | 31 | 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)) | BDBM50400139
(CHEMBL2179449)Show SMILES CC(C)(O)CNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(2.27,-22.39,;3.06,-21.06,;3.81,-22.39,;1.72,-20.29,;4.39,-20.29,;5.72,-21.07,;7.06,-20.3,;7.06,-18.75,;8.39,-17.98,;9.72,-18.75,;11.05,-17.97,;11.05,-16.43,;12.39,-18.74,;13.72,-17.96,;13.71,-16.22,;12.68,-15.14,;13.33,-13.87,;13.35,-15.31,;14.52,-16.63,;15.93,-16.07,;15.79,-14.44,;17.32,-14.46,;14.75,-13.32,;15.01,-15.66,;9.73,-20.3,;8.39,-21.07,;11.06,-21.06,;11.84,-22.4,;12.61,-21.06,)| Show InChI InChI=1S/C22H32N4O3/c1-21(2,28)11-24-20-23-10-16(18(26-20)13-3-4-13)19(27)25-17-14-5-12-6-15(17)9-22(29,7-12)8-14/h10,12-15,17,28-29H,3-9,11H2,1-2H3,(H,25,27)(H,23,24,26)/t12?,14?,15?,17-,22- | 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 | 108 | 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 | |