Found 5 hits for monomerid = 50195288 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 |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195288
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50195288
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)
(Mus musculus (mouse)) | BDBM50195288
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD2 assessed as cortisol disappearance by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 2
(Homo sapiens (Human)) | BDBM50195288
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 assessed as cortisol disappearance by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195288
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25- | 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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of cortisol formation by fluorescent polarization immunoassay |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
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