Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50394022' 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)) | BDBM50394022
(CHEMBL2158475)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(16.69,-26.29,;18.02,-25.52,;18.03,-23.98,;19.36,-23.21,;20.69,-23.97,;22.02,-23.2,;22.02,-21.66,;23.36,-23.96,;24.69,-23.19,;25.86,-21.88,;27.19,-22.35,;28.58,-21.97,;27.59,-23.27,;26.18,-22.73,;26.14,-21.14,;27.16,-19.89,;27.14,-18.35,;28.56,-20.44,;25.82,-20.4,;20.7,-25.52,;22.03,-26.29,;22.03,-27.83,;21.27,-29.16,;22.81,-29.16,;19.36,-26.29,)| Show InChI InChI=1S/C20H27N3O2/c1-11-21-10-16(17(22-11)6-12-2-3-12)19(24)23-18-14-4-13-5-15(18)9-20(25,7-13)8-14/h10,12-15,18,25H,2-9H2,1H3,(H,23,24)/t13?,14?,15?,18-,20- | 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 | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50394022
(CHEMBL2158475)Show SMILES Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC2CC2)n1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(16.69,-26.29,;18.02,-25.52,;18.03,-23.98,;19.36,-23.21,;20.69,-23.97,;22.02,-23.2,;22.02,-21.66,;23.36,-23.96,;24.69,-23.19,;25.86,-21.88,;27.19,-22.35,;28.58,-21.97,;27.59,-23.27,;26.18,-22.73,;26.14,-21.14,;27.16,-19.89,;27.14,-18.35,;28.56,-20.44,;25.82,-20.4,;20.7,-25.52,;22.03,-26.29,;22.03,-27.83,;21.27,-29.16,;22.81,-29.16,;19.36,-26.29,)| Show InChI InChI=1S/C20H27N3O2/c1-11-21-10-16(17(22-11)6-12-2-3-12)19(24)23-18-14-4-13-5-15(18)9-20(25,7-13)8-14/h10,12-15,18,25H,2-9H2,1H3,(H,23,24)/t13?,14?,15?,18-,20- | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of mouse 11betaHSD1 by HTRF assay |
Bioorg Med Chem Lett 22: 6756-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.070 BindingDB Entry DOI: 10.7270/Q23R0V0G |
More data for this Ligand-Target Pair | |