Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50195299' 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
(Mus musculus (mouse)) | BDBM50195299
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)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,(11.1,-46.36,;11.88,-45.03,;11.11,-43.69,;13.42,-45.04,;12.22,-46.31,;13.72,-45.89,;15.12,-46.46,;16.14,-45.18,;14.74,-45.53,;16.15,-43.65,;17.43,-42.8,;18.81,-43.49,;18.9,-45.03,;20.09,-42.63,;21.18,-41.54,;20.08,-40.45,;18.99,-41.55,;21.47,-43.32,;21.56,-44.85,;22.93,-45.53,;24.22,-44.69,;24.12,-43.15,;22.74,-42.46,;25.59,-45.38,;25.68,-46.91,;27.05,-47.6,;28.34,-46.75,;28.24,-45.21,;26.87,-44.53,;29.72,-47.44,;31.04,-48.2,;28.94,-48.76,;30.47,-46.1,;14.75,-43.08,;13.72,-44.3,;13.41,-43.55,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-2-3-20(31-15-19)33-6-8-34(9-7-33)25(4-1-5-25)23(36)32-21-17-10-16-11-18(21)14-24(12-16,13-17)22(30)35/h2-3,15-18,21H,1,4-14H2,(H2,30,35)(H,32,36)/t16?,17?,18?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | 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)) | BDBM50195299
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)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,(11.1,-46.36,;11.88,-45.03,;11.11,-43.69,;13.42,-45.04,;12.22,-46.31,;13.72,-45.89,;15.12,-46.46,;16.14,-45.18,;14.74,-45.53,;16.15,-43.65,;17.43,-42.8,;18.81,-43.49,;18.9,-45.03,;20.09,-42.63,;21.18,-41.54,;20.08,-40.45,;18.99,-41.55,;21.47,-43.32,;21.56,-44.85,;22.93,-45.53,;24.22,-44.69,;24.12,-43.15,;22.74,-42.46,;25.59,-45.38,;25.68,-46.91,;27.05,-47.6,;28.34,-46.75,;28.24,-45.21,;26.87,-44.53,;29.72,-47.44,;31.04,-48.2,;28.94,-48.76,;30.47,-46.1,;14.75,-43.08,;13.72,-44.3,;13.41,-43.55,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-2-3-20(31-15-19)33-6-8-34(9-7-33)25(4-1-5-25)23(36)32-21-17-10-16-11-18(21)14-24(12-16,13-17)22(30)35/h2-3,15-18,21H,1,4-14H2,(H2,30,35)(H,32,36)/t16?,17?,18?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | 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
(Homo sapiens (Human)) | BDBM50195299
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)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,(11.1,-46.36,;11.88,-45.03,;11.11,-43.69,;13.42,-45.04,;12.22,-46.31,;13.72,-45.89,;15.12,-46.46,;16.14,-45.18,;14.74,-45.53,;16.15,-43.65,;17.43,-42.8,;18.81,-43.49,;18.9,-45.03,;20.09,-42.63,;21.18,-41.54,;20.08,-40.45,;18.99,-41.55,;21.47,-43.32,;21.56,-44.85,;22.93,-45.53,;24.22,-44.69,;24.12,-43.15,;22.74,-42.46,;25.59,-45.38,;25.68,-46.91,;27.05,-47.6,;28.34,-46.75,;28.24,-45.21,;26.87,-44.53,;29.72,-47.44,;31.04,-48.2,;28.94,-48.76,;30.47,-46.1,;14.75,-43.08,;13.72,-44.3,;13.41,-43.55,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-2-3-20(31-15-19)33-6-8-34(9-7-33)25(4-1-5-25)23(36)32-21-17-10-16-11-18(21)14-24(12-16,13-17)22(30)35/h2-3,15-18,21H,1,4-14H2,(H2,30,35)(H,32,36)/t16?,17?,18?,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 | 19 | 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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