Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400168' 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)) | BDBM50400168
(CHEMBL2179025)Show SMILES OCCNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:11.10,wD:18.19,TLB:19:18:11:15.14.13,10:11:21.17.18:15.14.13,10:11:13:21.18.20,THB:19:18:11.16.15:13,20:18:11:15.14.13,20:14:11:21.17.18,17:16:13:21.18.20,17:18:11.16.15:13,(2.28,-22.72,;3.61,-23.49,;3.61,-25.03,;4.95,-25.8,;6.28,-25.04,;6.28,-23.49,;7.61,-22.72,;8.95,-23.48,;10.28,-22.71,;10.27,-21.17,;11.61,-23.47,;12.95,-22.7,;12.94,-20.95,;11.9,-19.88,;12.56,-18.61,;12.58,-20.05,;13.75,-21.37,;15.16,-20.81,;15.02,-19.18,;16.55,-19.2,;13.97,-18.06,;14.24,-20.4,;8.95,-25.03,;7.61,-25.81,;10.29,-25.8,;10.45,-27.33,;11.96,-27.65,;12.73,-26.31,;11.69,-25.17,)| Show InChI InChI=1S/C22H32N4O3/c27-6-5-23-21-24-12-17(19(26-21)14-3-1-2-4-14)20(28)25-18-15-7-13-8-16(18)11-22(29,9-13)10-15/h12-16,18,27,29H,1-11H2,(H,25,28)(H,23,24,26)/t13?,15?,16?,18-,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 | 12 | 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)) | BDBM50400168
(CHEMBL2179025)Show SMILES OCCNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:11.10,wD:18.19,TLB:19:18:11:15.14.13,10:11:21.17.18:15.14.13,10:11:13:21.18.20,THB:19:18:11.16.15:13,20:18:11:15.14.13,20:14:11:21.17.18,17:16:13:21.18.20,17:18:11.16.15:13,(2.28,-22.72,;3.61,-23.49,;3.61,-25.03,;4.95,-25.8,;6.28,-25.04,;6.28,-23.49,;7.61,-22.72,;8.95,-23.48,;10.28,-22.71,;10.27,-21.17,;11.61,-23.47,;12.95,-22.7,;12.94,-20.95,;11.9,-19.88,;12.56,-18.61,;12.58,-20.05,;13.75,-21.37,;15.16,-20.81,;15.02,-19.18,;16.55,-19.2,;13.97,-18.06,;14.24,-20.4,;8.95,-25.03,;7.61,-25.81,;10.29,-25.8,;10.45,-27.33,;11.96,-27.65,;12.73,-26.31,;11.69,-25.17,)| Show InChI InChI=1S/C22H32N4O3/c27-6-5-23-21-24-12-17(19(26-21)14-3-1-2-4-14)20(28)25-18-15-7-13-8-16(18)11-22(29,9-13)10-15/h12-16,18,27,29H,1-11H2,(H,25,28)(H,23,24,26)/t13?,15?,16?,18-,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 | 179 | 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 | |