Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112152' 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)) | BDBM50112152
(CHEMBL3608401 | US9464044, 84)Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | 6.0 | 25 |
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION
US Patent
| Assay Description
The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat... |
US Patent US9464044 (2016)
BindingDB Entry DOI: 10.7270/Q2SJ1JH0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50112152
(CHEMBL3608401 | US9464044, 84)Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21? | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50112152
(CHEMBL3608401 | US9464044, 84)Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21? | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Incheon National University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 25: 3501-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW |
More data for this
Ligand-Target Pair | |
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