Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112131' 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)) | BDBM50112131
(CHEMBL3608411 | US9464044, 80)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26-31(29,30)17-6-4-3-5-16(17)23)20(28)25-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(24)27/h3-6,13-15,19,26H,7-12H2,1-2H3,(H2,24,27)(H,25,28)/t13?,14?,15?,19-,22? | 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 | 14.8 | 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)) | BDBM50112131
(CHEMBL3608411 | US9464044, 80)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26-31(29,30)17-6-4-3-5-16(17)23)20(28)25-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(24)27/h3-6,13-15,19,26H,7-12H2,1-2H3,(H2,24,27)(H,25,28)/t13?,14?,15?,19-,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 | 15 | 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)) | BDBM50112131
(CHEMBL3608411 | US9464044, 80)Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC(N)=O)(C3)C2 |r,wD:17.17,TLB:17:18:29:22.21.23,21:22:30:29.19.20,21:20:30:17.22.23,THB:16:17:30:29.19.20,17:22:29:30.19.18,(-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,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;3.07,1.15,;3.72,2.55,;3.01,3.56,;4.95,2.66,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26-31(29,30)17-6-4-3-5-16(17)23)20(28)25-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(24)27/h3-6,13-15,19,26H,7-12H2,1-2H3,(H2,24,27)(H,25,28)/t13?,14?,15?,19-,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 | 301 | 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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