Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50195302' 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)) | BDBM50195302
(4-{2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin...)Show SMILES CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:29.36,TLB:22:23:30:26.27.28,21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(22.63,-27.62,;21.34,-28.48,;21.44,-30.01,;22.82,-30.7,;22.91,-32.23,;24.28,-32.91,;25.57,-32.07,;25.48,-30.53,;24.1,-29.83,;26.95,-32.75,;27.03,-34.29,;28.41,-34.98,;29.7,-34.13,;29.6,-32.59,;28.22,-31.9,;31.08,-34.82,;32.4,-35.58,;30.29,-36.14,;31.83,-33.47,;20.16,-30.87,;20.25,-32.4,;18.78,-30.18,;17.5,-31.03,;17.49,-32.56,;16.47,-33.84,;15.07,-33.27,;15.06,-31.68,;16.1,-30.45,;14.75,-30.93,;14.76,-32.41,;13.57,-33.69,;16.09,-32.9,;13.22,-32.41,;12.45,-33.74,;12.46,-31.07,)| Show InChI InChI=1S/C25H34F3N5O2/c1-2-19(32-5-7-33(8-6-32)20-4-3-18(14-30-20)25(26,27)28)22(34)31-21-16-9-15-10-17(21)13-24(11-15,12-16)23(29)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H2,29,35)(H,31,34)/t15?,16?,17?,19?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | 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)) | BDBM50195302
(4-{2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin...)Show SMILES CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:29.36,TLB:22:23:30:26.27.28,21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(22.63,-27.62,;21.34,-28.48,;21.44,-30.01,;22.82,-30.7,;22.91,-32.23,;24.28,-32.91,;25.57,-32.07,;25.48,-30.53,;24.1,-29.83,;26.95,-32.75,;27.03,-34.29,;28.41,-34.98,;29.7,-34.13,;29.6,-32.59,;28.22,-31.9,;31.08,-34.82,;32.4,-35.58,;30.29,-36.14,;31.83,-33.47,;20.16,-30.87,;20.25,-32.4,;18.78,-30.18,;17.5,-31.03,;17.49,-32.56,;16.47,-33.84,;15.07,-33.27,;15.06,-31.68,;16.1,-30.45,;14.75,-30.93,;14.76,-32.41,;13.57,-33.69,;16.09,-32.9,;13.22,-32.41,;12.45,-33.74,;12.46,-31.07,)| Show InChI InChI=1S/C25H34F3N5O2/c1-2-19(32-5-7-33(8-6-32)20-4-3-18(14-30-20)25(26,27)28)22(34)31-21-16-9-15-10-17(21)13-24(11-15,12-16)23(29)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H2,29,35)(H,31,34)/t15?,16?,17?,19?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | 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 1
(Homo sapiens (Human)) | BDBM50195302
(4-{2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin...)Show SMILES CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:29.36,TLB:22:23:30:26.27.28,21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(22.63,-27.62,;21.34,-28.48,;21.44,-30.01,;22.82,-30.7,;22.91,-32.23,;24.28,-32.91,;25.57,-32.07,;25.48,-30.53,;24.1,-29.83,;26.95,-32.75,;27.03,-34.29,;28.41,-34.98,;29.7,-34.13,;29.6,-32.59,;28.22,-31.9,;31.08,-34.82,;32.4,-35.58,;30.29,-36.14,;31.83,-33.47,;20.16,-30.87,;20.25,-32.4,;18.78,-30.18,;17.5,-31.03,;17.49,-32.56,;16.47,-33.84,;15.07,-33.27,;15.06,-31.68,;16.1,-30.45,;14.75,-30.93,;14.76,-32.41,;13.57,-33.69,;16.09,-32.9,;13.22,-32.41,;12.45,-33.74,;12.46,-31.07,)| Show InChI InChI=1S/C25H34F3N5O2/c1-2-19(32-5-7-33(8-6-32)20-4-3-18(14-30-20)25(26,27)28)22(34)31-21-16-9-15-10-17(21)13-24(11-15,12-16)23(29)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H2,29,35)(H,31,34)/t15?,16?,17?,19?,21-,24- | 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 | 24 | 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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