Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50448701' 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)) | BDBM50448701
(CHEMBL3127861)Show SMILES CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)| Show InChI InChI=1S/C20H28N2O3S/c1-10(2)25-19-22-16(12-3-4-12)17(26-19)18(23)21-15-13-5-11-6-14(15)9-20(24,7-11)8-13/h10-15,24H,3-9H2,1-2H3,(H,21,23)/t11?,13?,14?,15-,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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50448701
(CHEMBL3127861)Show SMILES CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)| Show InChI InChI=1S/C20H28N2O3S/c1-10(2)25-19-22-16(12-3-4-12)17(26-19)18(23)21-15-13-5-11-6-14(15)9-20(24,7-11)8-13/h10-15,24H,3-9H2,1-2H3,(H,21,23)/t11?,13?,14?,15-,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50448701
(CHEMBL3127861)Show SMILES CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)| Show InChI InChI=1S/C20H28N2O3S/c1-10(2)25-19-22-16(12-3-4-12)17(26-19)18(23)21-15-13-5-11-6-14(15)9-20(24,7-11)8-13/h10-15,24H,3-9H2,1-2H3,(H,21,23)/t11?,13?,14?,15-,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
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