Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400146' 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)) | BDBM50400146
(CHEMBL2179015)Show SMILES O[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:14.14,5.6,1.0,wD:21.23,TLB:22:21:14:18.17.16,13:14:24.20.21:18.17.16,13:14:16:24.21.23,THB:22:21:14.19.18:16,23:21:14:18.17.16,23:17:14:24.20.21,20:19:16:24.21.23,20:21:14.19.18:16,(40.19,-42.27,;39.04,-43.3,;37.54,-42.98,;36.76,-44.31,;37.79,-45.46,;39.2,-44.83,;40.54,-45.6,;41.87,-44.83,;41.87,-43.28,;43.2,-42.51,;44.54,-43.28,;45.87,-42.5,;45.86,-40.96,;47.2,-43.27,;48.54,-42.49,;48.53,-40.75,;47.5,-39.67,;48.15,-38.4,;48.17,-39.84,;49.34,-41.16,;50.75,-40.6,;50.61,-38.98,;52.14,-38.99,;49.56,-37.86,;49.83,-40.19,;44.54,-44.83,;43.21,-45.6,;45.88,-45.6,;46.04,-47.12,;47.55,-47.44,;48.32,-46.1,;47.28,-44.96,)| Show InChI InChI=1S/C25H36N4O3/c30-20-7-3-6-19(20)27-24-26-13-18(22(29-24)15-4-1-2-5-15)23(31)28-21-16-8-14-9-17(21)12-25(32,10-14)11-16/h13-17,19-21,30,32H,1-12H2,(H,28,31)(H,26,27,29)/t14?,16?,17?,19-,20+,21-,25-/m0/s1 | 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 | 29 | 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)) | BDBM50400146
(CHEMBL2179015)Show SMILES O[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:14.14,5.6,1.0,wD:21.23,TLB:22:21:14:18.17.16,13:14:24.20.21:18.17.16,13:14:16:24.21.23,THB:22:21:14.19.18:16,23:21:14:18.17.16,23:17:14:24.20.21,20:19:16:24.21.23,20:21:14.19.18:16,(40.19,-42.27,;39.04,-43.3,;37.54,-42.98,;36.76,-44.31,;37.79,-45.46,;39.2,-44.83,;40.54,-45.6,;41.87,-44.83,;41.87,-43.28,;43.2,-42.51,;44.54,-43.28,;45.87,-42.5,;45.86,-40.96,;47.2,-43.27,;48.54,-42.49,;48.53,-40.75,;47.5,-39.67,;48.15,-38.4,;48.17,-39.84,;49.34,-41.16,;50.75,-40.6,;50.61,-38.98,;52.14,-38.99,;49.56,-37.86,;49.83,-40.19,;44.54,-44.83,;43.21,-45.6,;45.88,-45.6,;46.04,-47.12,;47.55,-47.44,;48.32,-46.1,;47.28,-44.96,)| Show InChI InChI=1S/C25H36N4O3/c30-20-7-3-6-19(20)27-24-26-13-18(22(29-24)15-4-1-2-5-15)23(31)28-21-16-8-14-9-17(21)12-25(32,10-14)11-16/h13-17,19-21,30,32H,1-12H2,(H,28,31)(H,26,27,29)/t14?,16?,17?,19-,20+,21-,25-/m0/s1 | 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 | 36 | 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 | |
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