Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112136' 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)) | BDBM50112136
(CHEMBL3609864 | US9464044, 39)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.1,-2.62,;-6.62,-2.84,;-7.46,-.97,;-7.68,.55,;-6.54,.09,;-6.71,1.31,;-9.11,1.12,;-9.33,2.65,;-10.76,3.22,;-11.97,2.27,;-11.75,.74,;-10.32,.17,;-10.15,-1.05,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C21H26FN3O4S/c22-15-3-1-2-4-16(15)30(28,29)25-21(5-6-21)19(27)24-17-13-7-12-8-14(17)11-20(9-12,10-13)18(23)26/h1-4,12-14,17,25H,5-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,20? | 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 | 24.7 | 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)) | BDBM50112136
(CHEMBL3609864 | US9464044, 39)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.1,-2.62,;-6.62,-2.84,;-7.46,-.97,;-7.68,.55,;-6.54,.09,;-6.71,1.31,;-9.11,1.12,;-9.33,2.65,;-10.76,3.22,;-11.97,2.27,;-11.75,.74,;-10.32,.17,;-10.15,-1.05,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C21H26FN3O4S/c22-15-3-1-2-4-16(15)30(28,29)25-21(5-6-21)19(27)24-17-13-7-12-8-14(17)11-20(9-12,10-13)18(23)26/h1-4,12-14,17,25H,5-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,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 | 25 | 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)) | BDBM50112136
(CHEMBL3609864 | US9464044, 39)Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CC1)NS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:28:27:8:4.6.5,THB:28:5:8:9.27.29,10:9:8:4.6.5,9:27:4:8.6.7,9:7:4:27.28.29,(3.78,.15,;3.07,1.15,;3.59,2.27,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.1,-2.62,;-6.62,-2.84,;-7.46,-.97,;-7.68,.55,;-6.54,.09,;-6.71,1.31,;-9.11,1.12,;-9.33,2.65,;-10.76,3.22,;-11.97,2.27,;-11.75,.74,;-10.32,.17,;-10.15,-1.05,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C21H26FN3O4S/c22-15-3-1-2-4-16(15)30(28,29)25-21(5-6-21)19(27)24-17-13-7-12-8-14(17)11-20(9-12,10-13)18(23)26/h1-4,12-14,17,25H,5-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,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 | 193 | 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 | |
Search and Browse
