Found 5 hits for monomerid = 50448696 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
EBifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of sEH (unknown origin) |
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 (11-beta-HSD1)
(Rattus norvegicus (rat)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF assay |
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)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | 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
(Homo sapiens (Human)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | 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 | |
Search and Browse
