Found 93 hits Enz. Inhib. hit(s) with all data for entry = 50018391 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)) | BDBM50195289
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,wD:1.0,3.2,TLB:4:3:22:6.5.7,4:5:2.3.21:22,THB:8:7:2.3.21:22,(1.12,-7.02,;2.66,-7.15,;1.37,-8.33,;2.9,-8.03,;4.25,-8.7,;5.36,-7.5,;3.94,-7.74,;5.49,-5.98,;6.83,-5.23,;8.16,-6.02,;8.13,-7.56,;9.5,-5.27,;10.29,-3.94,;8.75,-3.92,;10.82,-6.06,;10.79,-7.6,;12.11,-8.38,;13.46,-7.64,;13.48,-6.1,;12.16,-5.3,;4.14,-5.3,;3.01,-6.44,;2.76,-5.67,)| Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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)) | BDBM50195289
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,wD:1.0,3.2,TLB:4:3:22:6.5.7,4:5:2.3.21:22,THB:8:7:2.3.21:22,(1.12,-7.02,;2.66,-7.15,;1.37,-8.33,;2.9,-8.03,;4.25,-8.7,;5.36,-7.5,;3.94,-7.74,;5.49,-5.98,;6.83,-5.23,;8.16,-6.02,;8.13,-7.56,;9.5,-5.27,;10.29,-3.94,;8.75,-3.92,;10.82,-6.06,;10.79,-7.6,;12.11,-8.38,;13.46,-7.64,;13.48,-6.1,;12.16,-5.3,;4.14,-5.3,;3.01,-6.44,;2.76,-5.67,)| Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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
(Mus musculus (mouse)) | BDBM50195298
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(2.47,-8.55,;1.18,-9.41,;1.28,-10.95,;2.66,-11.64,;2.75,-13.17,;4.13,-13.85,;5.41,-13,;5.31,-11.46,;6.8,-11.86,;4.91,-9.99,;3.94,-10.77,;0,-11.8,;.1,-13.34,;-1.38,-11.12,;-2.66,-11.97,;-2.67,-13.5,;-3.69,-14.78,;-5.09,-14.21,;-5.1,-12.62,;-4.06,-11.39,;-5.4,-11.87,;-5.4,-13.35,;-6.59,-14.63,;-4.07,-13.84,;-6.94,-13.35,;-7.71,-14.68,;-7.7,-12.01,)| Show InChI InChI=1S/C20H31F2N3O2/c1-2-15(25-5-3-4-20(21,22)11-25)17(26)24-16-13-6-12-7-14(16)10-19(8-12,9-13)18(23)27/h12-16H,2-11H2,1H3,(H2,23,27)(H,24,26)/t12?,13?,14?,15?,16-,19- | 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
(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
(Mus musculus (mouse)) | BDBM50195304
(CHEMBL220282 | N-(5-hydroxy-adamantan-2-yl)-2-pipe...)Show SMILES CC(C)(N1CCCCC1)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](O)(C3)C2 |wU:12.12,wD:15.23,19.21,TLB:11:12:21.15.16:18,THB:14:15:18:22.13.12,14:13:21.15.16:18,(1.81,3.48,;.48,2.7,;-.33,4.01,;1.3,1.4,;.56,.04,;1.37,-1.27,;2.91,-1.22,;3.64,.14,;2.82,1.45,;-.8,1.85,;-.71,.32,;-2.18,2.54,;-3.46,1.69,;-3.47,.16,;-4.49,-1.12,;-5.89,-.55,;-5.9,1.04,;-4.86,2.27,;-6.2,1.79,;-6.2,.3,;-7.74,.31,;-7.39,-.97,;-4.87,-.19,)| Show InChI InChI=1S/C19H32N2O2/c1-18(2,21-6-4-3-5-7-21)17(22)20-16-14-8-13-9-15(16)12-19(23,10-13)11-14/h13-16,23H,3-12H2,1-2H3,(H,20,22)/t13-,14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | 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
(Mus musculus (mouse)) | BDBM50195301
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES NC(=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,(-9.52,-39.78,;-8.74,-38.45,;-9.51,-37.12,;-7.2,-38.46,;-8.4,-39.74,;-6.9,-39.32,;-5.49,-39.88,;-4.48,-38.6,;-5.87,-38.95,;-4.47,-37.08,;-3.18,-36.22,;-1.8,-36.91,;-1.71,-38.45,;-.52,-36.06,;-.62,-34.52,;.06,-33.14,;-1.48,-33.24,;.86,-36.74,;.95,-38.27,;2.32,-38.96,;3.61,-38.11,;3.51,-36.57,;2.13,-35.88,;4.99,-38.8,;5.07,-40.34,;6.45,-41.02,;7.73,-40.18,;7.64,-38.63,;6.26,-37.95,;9.11,-40.86,;10.44,-41.63,;8.33,-42.19,;9.87,-39.52,;-5.86,-36.5,;-6.9,-37.73,;-7.21,-36.98,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-3-4-20(31-14-19)33-5-7-34(8-6-33)22(16-1-2-16)23(35)32-21-17-9-15-10-18(21)13-25(11-15,12-17)24(30)36/h3-4,14-18,21-22H,1-2,5-13H2,(H2,30,36)(H,32,35)/t15?,17?,18?,21-,22?,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | 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
(Mus musculus (mouse)) | BDBM50195291
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:25.27,29.36,TLB: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,(-.43,-31.93,;.38,-33.24,;1.71,-32.46,;1.2,-34.54,;.46,-35.9,;1.27,-37.21,;2.81,-37.16,;3.54,-35.81,;2.72,-34.49,;3.61,-38.47,;2.88,-39.82,;3.68,-41.13,;5.22,-41.09,;5.95,-39.73,;5.15,-38.42,;6.02,-42.4,;6.78,-43.73,;7.35,-41.62,;4.68,-43.16,;-.9,-34.09,;-.81,-35.62,;-2.28,-33.4,;-3.56,-34.25,;-3.58,-35.78,;-4.59,-37.06,;-5.99,-36.49,;-6,-34.9,;-4.96,-33.67,;-6.31,-34.15,;-6.3,-35.64,;-7.5,-36.91,;-4.97,-36.13,;-7.84,-35.63,;-8.62,-36.96,;-8.6,-34.29,)| Show InChI InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | 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)) | BDBM50195298
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(2.47,-8.55,;1.18,-9.41,;1.28,-10.95,;2.66,-11.64,;2.75,-13.17,;4.13,-13.85,;5.41,-13,;5.31,-11.46,;6.8,-11.86,;4.91,-9.99,;3.94,-10.77,;0,-11.8,;.1,-13.34,;-1.38,-11.12,;-2.66,-11.97,;-2.67,-13.5,;-3.69,-14.78,;-5.09,-14.21,;-5.1,-12.62,;-4.06,-11.39,;-5.4,-11.87,;-5.4,-13.35,;-6.59,-14.63,;-4.07,-13.84,;-6.94,-13.35,;-7.71,-14.68,;-7.7,-12.01,)| Show InChI InChI=1S/C20H31F2N3O2/c1-2-15(25-5-3-4-20(21,22)11-25)17(26)24-16-13-6-12-7-14(16)10-19(8-12,9-13)18(23)27/h12-16H,2-11H2,1H3,(H2,23,27)(H,24,26)/t12?,13?,14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | 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)) | BDBM50195297
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,3.2,1.0,TLB:6:1:21:5.4.7,8:7:2.1.6:4,THB:0:1:21:5.4.7,0:1:4:21.20.7,22:1:4:21.20.7,22:20:2.1.6:4,(2.65,-13.05,;2.78,-11.53,;1.25,-11.83,;2.54,-10.65,;2.65,-9.17,;4.03,-8.8,;2.9,-9.94,;5.37,-9.48,;6.72,-8.73,;8.04,-9.52,;8.02,-11.06,;9.38,-8.77,;10.17,-7.44,;8.63,-7.42,;10.71,-9.56,;10.68,-11.1,;11.99,-11.88,;13.34,-11.14,;13.37,-9.6,;12.04,-8.8,;5.24,-11,;3.83,-11.24,;4.14,-12.2,)| Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16+,18- | 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
(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
(Homo sapiens (Human)) | BDBM50195301
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES NC(=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,(-9.52,-39.78,;-8.74,-38.45,;-9.51,-37.12,;-7.2,-38.46,;-8.4,-39.74,;-6.9,-39.32,;-5.49,-39.88,;-4.48,-38.6,;-5.87,-38.95,;-4.47,-37.08,;-3.18,-36.22,;-1.8,-36.91,;-1.71,-38.45,;-.52,-36.06,;-.62,-34.52,;.06,-33.14,;-1.48,-33.24,;.86,-36.74,;.95,-38.27,;2.32,-38.96,;3.61,-38.11,;3.51,-36.57,;2.13,-35.88,;4.99,-38.8,;5.07,-40.34,;6.45,-41.02,;7.73,-40.18,;7.64,-38.63,;6.26,-37.95,;9.11,-40.86,;10.44,-41.63,;8.33,-42.19,;9.87,-39.52,;-5.86,-36.5,;-6.9,-37.73,;-7.21,-36.98,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-3-4-20(31-14-19)33-5-7-34(8-6-33)22(16-1-2-16)23(35)32-21-17-9-15-10-18(21)13-25(11-15,12-17)24(30)36/h3-4,14-18,21-22H,1-2,5-13H2,(H2,30,36)(H,32,35)/t15?,17?,18?,21-,22?,25- | 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
(Homo sapiens (Human)) | BDBM50195294
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(-7.99,-22.89,;-7.21,-21.56,;-7.98,-20.22,;-5.67,-21.56,;-6.87,-22.84,;-5.37,-22.42,;-3.96,-22.98,;-2.95,-21.71,;-4.35,-22.05,;-2.94,-20.18,;-1.66,-19.33,;-.28,-20.02,;-.18,-21.55,;1,-19.16,;.6,-17.67,;2.09,-18.07,;1.82,-20.47,;1.08,-21.83,;1.89,-23.13,;3.43,-23.09,;4.16,-21.73,;3.34,-20.42,;4.23,-24.39,;3.5,-25.75,;4.3,-27.05,;5.84,-27.01,;6.57,-25.66,;5.77,-24.34,;6.64,-28.33,;7.4,-29.65,;7.97,-27.54,;5.3,-29.08,;-4.34,-19.6,;-5.37,-20.83,;-5.68,-20.08,)| Show InChI InChI=1S/C25H31F3N4O3/c26-25(27,28)18-1-2-19(29-14-18)31-5-7-32(8-6-31)24(3-4-24)21(33)30-20-16-9-15-10-17(20)13-23(11-15,12-16)22(34)35/h1-2,14-17,20H,3-13H2,(H,30,33)(H,34,35)/t15-,16?,17?,20-,23- | 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
| 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)) | BDBM50195292
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(11.52,-39.73,;12.3,-38.4,;11.54,-37.06,;13.84,-38.4,;12.64,-39.68,;14.14,-39.26,;15.55,-39.82,;16.56,-38.55,;15.17,-38.89,;16.57,-37.02,;17.86,-36.17,;19.23,-36.85,;19.33,-38.39,;20.52,-36,;20.11,-34.51,;21.61,-34.91,;21.33,-37.31,;20.59,-38.67,;21.4,-39.97,;22.94,-39.93,;23.67,-38.57,;22.86,-37.26,;23.74,-41.23,;23.01,-42.59,;23.81,-43.89,;25.35,-43.85,;26.09,-42.5,;25.28,-41.18,;26.16,-45.17,;26.91,-46.49,;27.48,-44.38,;24.81,-45.92,;15.18,-36.44,;14.14,-37.67,;13.83,-36.92,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | 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)) | BDBM50195291
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:25.27,29.36,TLB: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,(-.43,-31.93,;.38,-33.24,;1.71,-32.46,;1.2,-34.54,;.46,-35.9,;1.27,-37.21,;2.81,-37.16,;3.54,-35.81,;2.72,-34.49,;3.61,-38.47,;2.88,-39.82,;3.68,-41.13,;5.22,-41.09,;5.95,-39.73,;5.15,-38.42,;6.02,-42.4,;6.78,-43.73,;7.35,-41.62,;4.68,-43.16,;-.9,-34.09,;-.81,-35.62,;-2.28,-33.4,;-3.56,-34.25,;-3.58,-35.78,;-4.59,-37.06,;-5.99,-36.49,;-6,-34.9,;-4.96,-33.67,;-6.31,-34.15,;-6.3,-35.64,;-7.5,-36.91,;-4.97,-36.13,;-7.84,-35.63,;-8.62,-36.96,;-8.6,-34.29,)| Show InChI InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | 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)) | BDBM50195287
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(-4.78,-1.76,;-6.11,-.98,;-7.45,-1.74,;-6.1,.55,;-7.6,.13,;-6.41,1.41,;-6.41,2.89,;-5.07,3.37,;-6.11,2.14,;-3.67,2.79,;-2.39,3.64,;-1.01,2.96,;-.92,1.42,;.27,3.81,;-.13,5.3,;1.36,4.91,;1.09,2.5,;.35,1.14,;1.16,-.16,;2.7,-.12,;3.43,1.24,;2.61,2.55,;3.5,-1.42,;2.77,-2.77,;3.57,-4.08,;5.11,-4.04,;5.84,-2.69,;5.04,-1.37,;5.91,-5.36,;6.67,-6.68,;7.24,-4.57,;4.57,-6.11,;-3.68,1.26,;-5.08,.92,;-4.7,-.01,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20+,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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)) | BDBM50195304
(CHEMBL220282 | N-(5-hydroxy-adamantan-2-yl)-2-pipe...)Show SMILES CC(C)(N1CCCCC1)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](O)(C3)C2 |wU:12.12,wD:15.23,19.21,TLB:11:12:21.15.16:18,THB:14:15:18:22.13.12,14:13:21.15.16:18,(1.81,3.48,;.48,2.7,;-.33,4.01,;1.3,1.4,;.56,.04,;1.37,-1.27,;2.91,-1.22,;3.64,.14,;2.82,1.45,;-.8,1.85,;-.71,.32,;-2.18,2.54,;-3.46,1.69,;-3.47,.16,;-4.49,-1.12,;-5.89,-.55,;-5.9,1.04,;-4.86,2.27,;-6.2,1.79,;-6.2,.3,;-7.74,.31,;-7.39,-.97,;-4.87,-.19,)| Show InChI InChI=1S/C19H32N2O2/c1-18(2,21-6-4-3-5-7-21)17(22)20-16-14-8-13-9-15(16)12-19(23,10-13)11-14/h13-16,23H,3-12H2,1-2H3,(H,20,22)/t13-,14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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)) | BDBM50195290
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:25.27,29.36,TLB: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,(21.86,-6.75,;20.53,-7.53,;19.71,-6.23,;21.34,-8.84,;20.6,-10.2,;21.41,-11.5,;22.95,-11.46,;23.68,-10.1,;22.87,-8.78,;23.76,-12.76,;23.02,-14.12,;23.82,-15.42,;25.37,-15.38,;26.1,-14.03,;25.29,-12.71,;26.17,-16.7,;26.93,-18.02,;27.49,-15.91,;24.83,-17.45,;19.24,-8.38,;19.34,-9.92,;17.86,-7.7,;16.58,-8.55,;16.57,-10.08,;15.56,-11.35,;14.15,-10.79,;14.15,-9.2,;15.18,-7.97,;13.84,-8.45,;13.85,-9.93,;12.65,-11.21,;15.17,-10.42,;12.3,-9.92,;11.53,-11.25,;11.54,-8.59,)| Show InChI InChI=1S/C25H33F3N4O3/c1-23(2,32-7-5-31(6-8-32)19-4-3-18(14-29-19)25(26,27)28)21(33)30-20-16-9-15-10-17(20)13-24(11-15,12-16)22(34)35/h3-4,14-17,20H,5-13H2,1-2H3,(H,30,33)(H,34,35)/t15-,16?,17?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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
(Mus musculus (mouse)) | BDBM50195292
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(11.52,-39.73,;12.3,-38.4,;11.54,-37.06,;13.84,-38.4,;12.64,-39.68,;14.14,-39.26,;15.55,-39.82,;16.56,-38.55,;15.17,-38.89,;16.57,-37.02,;17.86,-36.17,;19.23,-36.85,;19.33,-38.39,;20.52,-36,;20.11,-34.51,;21.61,-34.91,;21.33,-37.31,;20.59,-38.67,;21.4,-39.97,;22.94,-39.93,;23.67,-38.57,;22.86,-37.26,;23.74,-41.23,;23.01,-42.59,;23.81,-43.89,;25.35,-43.85,;26.09,-42.5,;25.28,-41.18,;26.16,-45.17,;26.91,-46.49,;27.48,-44.38,;24.81,-45.92,;15.18,-36.44,;14.14,-37.67,;13.83,-36.92,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,23- | 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)) | BDBM50195300
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=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,(11.08,-20.04,;11.85,-18.71,;11.09,-17.37,;13.39,-18.71,;12.2,-19.99,;13.7,-19.57,;15.1,-20.13,;16.11,-18.86,;14.72,-19.2,;16.13,-17.33,;17.41,-16.48,;18.79,-17.17,;18.88,-18.7,;20.07,-16.31,;21.16,-15.21,;20.06,-14.13,;18.97,-15.22,;21.45,-17,;21.54,-18.53,;22.91,-19.21,;24.19,-18.36,;24.1,-16.83,;22.72,-16.14,;25.57,-19.05,;25.66,-20.59,;27.03,-21.28,;28.32,-20.43,;28.22,-18.88,;26.84,-18.2,;29.69,-21.12,;31.02,-21.88,;28.91,-22.44,;30.45,-19.77,;14.73,-16.75,;13.69,-17.98,;13.38,-17.23,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-2-3-20(30-15-19)32-6-8-33(9-7-32)25(4-1-5-25)22(34)31-21-17-10-16-11-18(21)14-24(12-16,13-17)23(35)36/h2-3,15-18,21H,1,4-14H2,(H,31,34)(H,35,36)/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
| 17 | 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)) | 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
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
(Homo sapiens (Human)) | BDBM50195295
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-10.51,-26.96,;-9.74,-25.63,;-10.5,-24.3,;-8.2,-25.64,;-9.39,-26.91,;-7.89,-26.49,;-6.49,-27.06,;-5.48,-25.78,;-6.87,-26.13,;-5.47,-24.26,;-4.18,-23.41,;-2.81,-24.09,;-2.71,-25.63,;-1.53,-23.23,;-.44,-22.14,;-1.14,-20.76,;-2.67,-21.01,;-2.9,-22.54,;-.14,-23.92,;-.05,-25.45,;1.32,-26.14,;2.6,-25.29,;2.51,-23.75,;1.13,-23.06,;3.98,-25.98,;4.07,-27.51,;5.44,-28.2,;6.73,-27.35,;6.63,-25.81,;5.25,-25.13,;8.1,-28.04,;9.43,-28.8,;7.32,-29.36,;8.86,-26.7,;-6.86,-23.68,;-7.9,-24.9,;-8.21,-24.16,)| Show InChI InChI=1S/C27H35F3N4O3/c28-27(29,30)20-3-4-21(31-16-20)33-7-9-34(10-8-33)26(5-1-2-6-26)23(35)32-22-18-11-17-12-19(22)15-25(13-17,14-18)24(36)37/h3-4,16-19,22H,1-2,5-15H2,(H,32,35)(H,36,37)/t17?,18?,19?,22-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | 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)) | BDBM50195286
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)| Show InChI InChI=1S/C27H36F3N5O2/c28-27(29,30)20-3-4-21(32-16-20)34-7-9-35(10-8-34)26(5-1-2-6-26)24(37)33-22-18-11-17-12-19(22)15-25(13-17,14-18)23(31)36/h3-4,16-19,22H,1-2,5-15H2,(H2,31,36)(H,33,37)/t17?,18?,19?,22-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | 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)) | BDBM50195286
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)| Show InChI InChI=1S/C27H36F3N5O2/c28-27(29,30)20-3-4-21(32-16-20)34-7-9-35(10-8-34)26(5-1-2-6-26)24(37)33-22-18-11-17-12-19(22)15-25(13-17,14-18)23(31)36/h3-4,16-19,22H,1-2,5-15H2,(H2,31,36)(H,33,37)/t17?,18?,19?,22-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | 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)) | BDBM50195297
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,3.2,1.0,TLB:6:1:21:5.4.7,8:7:2.1.6:4,THB:0:1:21:5.4.7,0:1:4:21.20.7,22:1:4:21.20.7,22:20:2.1.6:4,(2.65,-13.05,;2.78,-11.53,;1.25,-11.83,;2.54,-10.65,;2.65,-9.17,;4.03,-8.8,;2.9,-9.94,;5.37,-9.48,;6.72,-8.73,;8.04,-9.52,;8.02,-11.06,;9.38,-8.77,;10.17,-7.44,;8.63,-7.42,;10.71,-9.56,;10.68,-11.1,;11.99,-11.88,;13.34,-11.14,;13.37,-9.6,;12.04,-8.8,;5.24,-11,;3.83,-11.24,;4.14,-12.2,)| Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16+,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 58 | 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)) | BDBM50195303
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(25.14,-3.72,;23.86,-4.58,;23.95,-6.12,;25.34,-6.81,;25.43,-8.34,;26.8,-9.02,;28.08,-8.17,;27.98,-6.63,;29.47,-7.03,;27.58,-5.16,;26.61,-5.94,;22.67,-6.97,;22.77,-8.51,;21.29,-6.29,;20.01,-7.14,;20,-8.67,;18.99,-9.95,;17.58,-9.38,;17.58,-7.79,;18.61,-6.56,;17.27,-7.04,;17.28,-8.52,;16.08,-9.8,;18.6,-9.01,;15.73,-8.52,;14.96,-9.85,;14.97,-7.18,)| Show InChI InChI=1S/C20H30F2N2O3/c1-2-15(24-5-3-4-20(21,22)11-24)17(25)23-16-13-6-12-7-14(16)10-19(8-12,9-13)18(26)27/h12-16H,2-11H2,1H3,(H,23,25)(H,26,27)/t12?,13?,14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | 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)) | BDBM50195293
(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(O)=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,(20.75,4.68,;19.46,3.83,;19.56,2.29,;20.94,1.61,;21.03,.08,;22.4,-.6,;23.69,.24,;23.6,1.78,;22.22,2.47,;25.07,-.45,;25.15,-1.98,;26.53,-2.67,;27.82,-1.82,;27.72,-.28,;26.34,.4,;29.2,-2.51,;30.52,-3.27,;28.41,-3.83,;29.95,-1.17,;18.28,1.44,;18.37,-.1,;16.9,2.13,;15.62,1.28,;15.6,-.25,;14.59,-1.53,;13.19,-.96,;13.18,.63,;14.22,1.86,;12.87,1.38,;12.88,-.11,;11.68,-1.38,;14.21,-.6,;11.34,-.1,;10.56,-1.43,;10.58,1.24,)| Show InChI InChI=1S/C25H33F3N4O3/c1-2-19(31-5-7-32(8-6-31)20-4-3-18(14-29-20)25(26,27)28)22(33)30-21-16-9-15-10-17(21)13-24(11-15,12-16)23(34)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H,30,33)(H,34,35)/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
| 120 | 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)) | BDBM50195290
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:25.27,29.36,TLB: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,(21.86,-6.75,;20.53,-7.53,;19.71,-6.23,;21.34,-8.84,;20.6,-10.2,;21.41,-11.5,;22.95,-11.46,;23.68,-10.1,;22.87,-8.78,;23.76,-12.76,;23.02,-14.12,;23.82,-15.42,;25.37,-15.38,;26.1,-14.03,;25.29,-12.71,;26.17,-16.7,;26.93,-18.02,;27.49,-15.91,;24.83,-17.45,;19.24,-8.38,;19.34,-9.92,;17.86,-7.7,;16.58,-8.55,;16.57,-10.08,;15.56,-11.35,;14.15,-10.79,;14.15,-9.2,;15.18,-7.97,;13.84,-8.45,;13.85,-9.93,;12.65,-11.21,;15.17,-10.42,;12.3,-9.92,;11.53,-11.25,;11.54,-8.59,)| Show InChI InChI=1S/C25H33F3N4O3/c1-23(2,32-7-5-31(6-8-32)19-4-3-18(14-29-19)25(26,27)28)21(33)30-20-16-9-15-10-17(20)13-24(11-15,12-16)22(34)35/h3-4,14-17,20H,5-13H2,1-2H3,(H,30,33)(H,34,35)/t15-,16?,17?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | 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)) | BDBM50195296
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(16.09,-26.72,;14.76,-25.94,;13.42,-26.7,;14.77,-24.41,;13.27,-24.83,;14.46,-23.55,;14.46,-22.07,;15.8,-21.59,;14.76,-22.82,;17.2,-22.17,;18.48,-21.32,;19.86,-22,;19.95,-23.54,;21.14,-21.15,;20.74,-19.66,;22.23,-20.05,;21.96,-22.46,;21.22,-23.82,;22.03,-25.12,;23.57,-25.08,;24.29,-23.72,;23.48,-22.4,;24.37,-26.38,;23.64,-27.73,;24.44,-29.04,;25.98,-29,;26.71,-27.65,;25.91,-26.33,;26.78,-30.32,;27.54,-31.64,;28.11,-29.53,;25.44,-31.07,;17.19,-23.7,;15.79,-24.04,;16.17,-24.97,)| Show InChI InChI=1S/C25H31F3N4O3/c26-25(27,28)18-1-2-19(29-14-18)31-5-7-32(8-6-31)24(3-4-24)21(33)30-20-16-9-15-10-17(20)13-23(11-15,12-16)22(34)35/h1-2,14-17,20H,3-13H2,(H,30,33)(H,34,35)/t15-,16?,17?,20+,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | 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)) | BDBM50195300
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=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,(11.08,-20.04,;11.85,-18.71,;11.09,-17.37,;13.39,-18.71,;12.2,-19.99,;13.7,-19.57,;15.1,-20.13,;16.11,-18.86,;14.72,-19.2,;16.13,-17.33,;17.41,-16.48,;18.79,-17.17,;18.88,-18.7,;20.07,-16.31,;21.16,-15.21,;20.06,-14.13,;18.97,-15.22,;21.45,-17,;21.54,-18.53,;22.91,-19.21,;24.19,-18.36,;24.1,-16.83,;22.72,-16.14,;25.57,-19.05,;25.66,-20.59,;27.03,-21.28,;28.32,-20.43,;28.22,-18.88,;26.84,-18.2,;29.69,-21.12,;31.02,-21.88,;28.91,-22.44,;30.45,-19.77,;14.73,-16.75,;13.69,-17.98,;13.38,-17.23,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-2-3-20(30-15-19)32-6-8-33(9-7-32)25(4-1-5-25)22(34)31-21-17-10-16-11-18(21)14-24(12-16,13-17)23(35)36/h2-3,15-18,21H,1,4-14H2,(H,31,34)(H,35,36)/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
| 270 | 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
(Mus musculus (mouse)) | BDBM50195294
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(-7.99,-22.89,;-7.21,-21.56,;-7.98,-20.22,;-5.67,-21.56,;-6.87,-22.84,;-5.37,-22.42,;-3.96,-22.98,;-2.95,-21.71,;-4.35,-22.05,;-2.94,-20.18,;-1.66,-19.33,;-.28,-20.02,;-.18,-21.55,;1,-19.16,;.6,-17.67,;2.09,-18.07,;1.82,-20.47,;1.08,-21.83,;1.89,-23.13,;3.43,-23.09,;4.16,-21.73,;3.34,-20.42,;4.23,-24.39,;3.5,-25.75,;4.3,-27.05,;5.84,-27.01,;6.57,-25.66,;5.77,-24.34,;6.64,-28.33,;7.4,-29.65,;7.97,-27.54,;5.3,-29.08,;-4.34,-19.6,;-5.37,-20.83,;-5.68,-20.08,)| Show InChI InChI=1S/C25H31F3N4O3/c26-25(27,28)18-1-2-19(29-14-18)31-5-7-32(8-6-31)24(3-4-24)21(33)30-20-16-9-15-10-17(20)13-23(11-15,12-16)22(34)35/h1-2,14-17,20H,3-13H2,(H,30,33)(H,34,35)/t15-,16?,17?,20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | 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
(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
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 1
(Mus musculus (mouse)) | BDBM50195295
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-10.51,-26.96,;-9.74,-25.63,;-10.5,-24.3,;-8.2,-25.64,;-9.39,-26.91,;-7.89,-26.49,;-6.49,-27.06,;-5.48,-25.78,;-6.87,-26.13,;-5.47,-24.26,;-4.18,-23.41,;-2.81,-24.09,;-2.71,-25.63,;-1.53,-23.23,;-.44,-22.14,;-1.14,-20.76,;-2.67,-21.01,;-2.9,-22.54,;-.14,-23.92,;-.05,-25.45,;1.32,-26.14,;2.6,-25.29,;2.51,-23.75,;1.13,-23.06,;3.98,-25.98,;4.07,-27.51,;5.44,-28.2,;6.73,-27.35,;6.63,-25.81,;5.25,-25.13,;8.1,-28.04,;9.43,-28.8,;7.32,-29.36,;8.86,-26.7,;-6.86,-23.68,;-7.9,-24.9,;-8.21,-24.16,)| Show InChI InChI=1S/C27H35F3N4O3/c28-27(29,30)20-3-4-21(31-16-20)33-7-9-34(10-8-33)26(5-1-2-6-26)23(35)32-22-18-11-17-12-19(22)15-25(13-17,14-18)24(36)37/h3-4,16-19,22H,1-2,5-15H2,(H,32,35)(H,36,37)/t17?,18?,19?,22-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 1
(Mus musculus (mouse)) | BDBM50195293
(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(O)=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,(20.75,4.68,;19.46,3.83,;19.56,2.29,;20.94,1.61,;21.03,.08,;22.4,-.6,;23.69,.24,;23.6,1.78,;22.22,2.47,;25.07,-.45,;25.15,-1.98,;26.53,-2.67,;27.82,-1.82,;27.72,-.28,;26.34,.4,;29.2,-2.51,;30.52,-3.27,;28.41,-3.83,;29.95,-1.17,;18.28,1.44,;18.37,-.1,;16.9,2.13,;15.62,1.28,;15.6,-.25,;14.59,-1.53,;13.19,-.96,;13.18,.63,;14.22,1.86,;12.87,1.38,;12.88,-.11,;11.68,-1.38,;14.21,-.6,;11.34,-.1,;10.56,-1.43,;10.58,1.24,)| Show InChI InChI=1S/C25H33F3N4O3/c1-2-19(31-5-7-32(8-6-31)20-4-3-18(14-29-20)25(26,27)28)22(33)30-21-16-9-15-10-17(21)13-24(11-15,12-16)23(34)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H,30,33)(H,34,35)/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
| 700 | 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
(Mus musculus (mouse)) | BDBM50195303
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(25.14,-3.72,;23.86,-4.58,;23.95,-6.12,;25.34,-6.81,;25.43,-8.34,;26.8,-9.02,;28.08,-8.17,;27.98,-6.63,;29.47,-7.03,;27.58,-5.16,;26.61,-5.94,;22.67,-6.97,;22.77,-8.51,;21.29,-6.29,;20.01,-7.14,;20,-8.67,;18.99,-9.95,;17.58,-9.38,;17.58,-7.79,;18.61,-6.56,;17.27,-7.04,;17.28,-8.52,;16.08,-9.8,;18.6,-9.01,;15.73,-8.52,;14.96,-9.85,;14.97,-7.18,)| Show InChI InChI=1S/C20H30F2N2O3/c1-2-15(24-5-3-4-20(21,22)11-24)17(25)23-16-13-6-12-7-14(16)10-19(8-12,9-13)18(26)27/h12-16H,2-11H2,1H3,(H,23,25)(H,26,27)/t12?,13?,14?,15?,16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+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
(Mus musculus (mouse)) | BDBM50195287
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(-4.78,-1.76,;-6.11,-.98,;-7.45,-1.74,;-6.1,.55,;-7.6,.13,;-6.41,1.41,;-6.41,2.89,;-5.07,3.37,;-6.11,2.14,;-3.67,2.79,;-2.39,3.64,;-1.01,2.96,;-.92,1.42,;.27,3.81,;-.13,5.3,;1.36,4.91,;1.09,2.5,;.35,1.14,;1.16,-.16,;2.7,-.12,;3.43,1.24,;2.61,2.55,;3.5,-1.42,;2.77,-2.77,;3.57,-4.08,;5.11,-4.04,;5.84,-2.69,;5.04,-1.37,;5.91,-5.36,;6.67,-6.68,;7.24,-4.57,;4.57,-6.11,;-3.68,1.26,;-5.08,.92,;-4.7,-.01,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20+,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+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
(Mus musculus (mouse)) | BDBM50195296
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(16.09,-26.72,;14.76,-25.94,;13.42,-26.7,;14.77,-24.41,;13.27,-24.83,;14.46,-23.55,;14.46,-22.07,;15.8,-21.59,;14.76,-22.82,;17.2,-22.17,;18.48,-21.32,;19.86,-22,;19.95,-23.54,;21.14,-21.15,;20.74,-19.66,;22.23,-20.05,;21.96,-22.46,;21.22,-23.82,;22.03,-25.12,;23.57,-25.08,;24.29,-23.72,;23.48,-22.4,;24.37,-26.38,;23.64,-27.73,;24.44,-29.04,;25.98,-29,;26.71,-27.65,;25.91,-26.33,;26.78,-30.32,;27.54,-31.64,;28.11,-29.53,;25.44,-31.07,;17.19,-23.7,;15.79,-24.04,;16.17,-24.97,)| Show InChI InChI=1S/C25H31F3N4O3/c26-25(27,28)18-1-2-19(29-14-18)31-5-7-32(8-6-31)24(3-4-24)21(33)30-20-16-9-15-10-17(20)13-23(11-15,12-16)22(34)35/h1-2,14-17,20H,3-13H2,(H,30,33)(H,34,35)/t15-,16?,17?,20+,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+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)) | BDBM50195289
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,wD:1.0,3.2,TLB:4:3:22:6.5.7,4:5:2.3.21:22,THB:8:7:2.3.21:22,(1.12,-7.02,;2.66,-7.15,;1.37,-8.33,;2.9,-8.03,;4.25,-8.7,;5.36,-7.5,;3.94,-7.74,;5.49,-5.98,;6.83,-5.23,;8.16,-6.02,;8.13,-7.56,;9.5,-5.27,;10.29,-3.94,;8.75,-3.92,;10.82,-6.06,;10.79,-7.6,;12.11,-8.38,;13.46,-7.64,;13.48,-6.1,;12.16,-5.3,;4.14,-5.3,;3.01,-6.44,;2.76,-5.67,)| Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16-,18- | 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 | 7 | 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 | |
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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195292
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(11.52,-39.73,;12.3,-38.4,;11.54,-37.06,;13.84,-38.4,;12.64,-39.68,;14.14,-39.26,;15.55,-39.82,;16.56,-38.55,;15.17,-38.89,;16.57,-37.02,;17.86,-36.17,;19.23,-36.85,;19.33,-38.39,;20.52,-36,;20.11,-34.51,;21.61,-34.91,;21.33,-37.31,;20.59,-38.67,;21.4,-39.97,;22.94,-39.93,;23.67,-38.57,;22.86,-37.26,;23.74,-41.23,;23.01,-42.59,;23.81,-43.89,;25.35,-43.85,;26.09,-42.5,;25.28,-41.18,;26.16,-45.17,;26.91,-46.49,;27.48,-44.38,;24.81,-45.92,;15.18,-36.44,;14.14,-37.67,;13.83,-36.92,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,23- | 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 | 22 | 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 | |
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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195304
(CHEMBL220282 | N-(5-hydroxy-adamantan-2-yl)-2-pipe...)Show SMILES CC(C)(N1CCCCC1)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](O)(C3)C2 |wU:12.12,wD:15.23,19.21,TLB:11:12:21.15.16:18,THB:14:15:18:22.13.12,14:13:21.15.16:18,(1.81,3.48,;.48,2.7,;-.33,4.01,;1.3,1.4,;.56,.04,;1.37,-1.27,;2.91,-1.22,;3.64,.14,;2.82,1.45,;-.8,1.85,;-.71,.32,;-2.18,2.54,;-3.46,1.69,;-3.47,.16,;-4.49,-1.12,;-5.89,-.55,;-5.9,1.04,;-4.86,2.27,;-6.2,1.79,;-6.2,.3,;-7.74,.31,;-7.39,-.97,;-4.87,-.19,)| Show InChI InChI=1S/C19H32N2O2/c1-18(2,21-6-4-3-5-7-21)17(22)20-16-14-8-13-9-15(16)12-19(23,10-13)11-14/h13-16,23H,3-12H2,1-2H3,(H,20,22)/t13-,14?,15?,16-,19- | 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 | 28 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195286
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)| Show InChI InChI=1S/C27H36F3N5O2/c28-27(29,30)20-3-4-21(32-16-20)34-7-9-35(10-8-34)26(5-1-2-6-26)24(37)33-22-18-11-17-12-19(22)15-25(13-17,14-18)23(31)36/h3-4,16-19,22H,1-2,5-15H2,(H2,31,36)(H,33,37)/t17?,18?,19?,22-,25- | 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 | 29 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195298
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(2.47,-8.55,;1.18,-9.41,;1.28,-10.95,;2.66,-11.64,;2.75,-13.17,;4.13,-13.85,;5.41,-13,;5.31,-11.46,;6.8,-11.86,;4.91,-9.99,;3.94,-10.77,;0,-11.8,;.1,-13.34,;-1.38,-11.12,;-2.66,-11.97,;-2.67,-13.5,;-3.69,-14.78,;-5.09,-14.21,;-5.1,-12.62,;-4.06,-11.39,;-5.4,-11.87,;-5.4,-13.35,;-6.59,-14.63,;-4.07,-13.84,;-6.94,-13.35,;-7.71,-14.68,;-7.7,-12.01,)| Show InChI InChI=1S/C20H31F2N3O2/c1-2-15(25-5-3-4-20(21,22)11-25)17(26)24-16-13-6-12-7-14(16)10-19(8-12,9-13)18(23)27/h12-16H,2-11H2,1H3,(H2,23,27)(H,24,26)/t12?,13?,14?,15?,16-,19- | 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 | 36 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195300
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=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,(11.08,-20.04,;11.85,-18.71,;11.09,-17.37,;13.39,-18.71,;12.2,-19.99,;13.7,-19.57,;15.1,-20.13,;16.11,-18.86,;14.72,-19.2,;16.13,-17.33,;17.41,-16.48,;18.79,-17.17,;18.88,-18.7,;20.07,-16.31,;21.16,-15.21,;20.06,-14.13,;18.97,-15.22,;21.45,-17,;21.54,-18.53,;22.91,-19.21,;24.19,-18.36,;24.1,-16.83,;22.72,-16.14,;25.57,-19.05,;25.66,-20.59,;27.03,-21.28,;28.32,-20.43,;28.22,-18.88,;26.84,-18.2,;29.69,-21.12,;31.02,-21.88,;28.91,-22.44,;30.45,-19.77,;14.73,-16.75,;13.69,-17.98,;13.38,-17.23,)| Show InChI InChI=1S/C26H33F3N4O3/c27-26(28,29)19-2-3-20(30-15-19)32-6-8-33(9-7-32)25(4-1-5-25)22(34)31-21-17-10-16-11-18(21)14-24(12-16,13-17)23(35)36/h2-3,15-18,21H,1,4-14H2,(H,31,34)(H,35,36)/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 | 37 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195301
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES NC(=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,(-9.52,-39.78,;-8.74,-38.45,;-9.51,-37.12,;-7.2,-38.46,;-8.4,-39.74,;-6.9,-39.32,;-5.49,-39.88,;-4.48,-38.6,;-5.87,-38.95,;-4.47,-37.08,;-3.18,-36.22,;-1.8,-36.91,;-1.71,-38.45,;-.52,-36.06,;-.62,-34.52,;.06,-33.14,;-1.48,-33.24,;.86,-36.74,;.95,-38.27,;2.32,-38.96,;3.61,-38.11,;3.51,-36.57,;2.13,-35.88,;4.99,-38.8,;5.07,-40.34,;6.45,-41.02,;7.73,-40.18,;7.64,-38.63,;6.26,-37.95,;9.11,-40.86,;10.44,-41.63,;8.33,-42.19,;9.87,-39.52,;-5.86,-36.5,;-6.9,-37.73,;-7.21,-36.98,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-3-4-20(31-14-19)33-5-7-34(8-6-33)22(16-1-2-16)23(35)32-21-17-9-15-10-18(21)13-25(11-15,12-17)24(30)36/h3-4,14-18,21-22H,1-2,5-13H2,(H2,30,36)(H,32,35)/t15?,17?,18?,21-,22?,25- | 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 | 38 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195290
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:25.27,29.36,TLB: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,(21.86,-6.75,;20.53,-7.53,;19.71,-6.23,;21.34,-8.84,;20.6,-10.2,;21.41,-11.5,;22.95,-11.46,;23.68,-10.1,;22.87,-8.78,;23.76,-12.76,;23.02,-14.12,;23.82,-15.42,;25.37,-15.38,;26.1,-14.03,;25.29,-12.71,;26.17,-16.7,;26.93,-18.02,;27.49,-15.91,;24.83,-17.45,;19.24,-8.38,;19.34,-9.92,;17.86,-7.7,;16.58,-8.55,;16.57,-10.08,;15.56,-11.35,;14.15,-10.79,;14.15,-9.2,;15.18,-7.97,;13.84,-8.45,;13.85,-9.93,;12.65,-11.21,;15.17,-10.42,;12.3,-9.92,;11.53,-11.25,;11.54,-8.59,)| Show InChI InChI=1S/C25H33F3N4O3/c1-23(2,32-7-5-31(6-8-32)19-4-3-18(14-29-19)25(26,27)28)21(33)30-20-16-9-15-10-17(20)13-24(11-15,12-16)22(34)35/h3-4,14-17,20H,5-13H2,1-2H3,(H,30,33)(H,34,35)/t15-,16?,17?,20-,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 | 39 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195294
(4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazi...)Show SMILES OC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(-7.99,-22.89,;-7.21,-21.56,;-7.98,-20.22,;-5.67,-21.56,;-6.87,-22.84,;-5.37,-22.42,;-3.96,-22.98,;-2.95,-21.71,;-4.35,-22.05,;-2.94,-20.18,;-1.66,-19.33,;-.28,-20.02,;-.18,-21.55,;1,-19.16,;.6,-17.67,;2.09,-18.07,;1.82,-20.47,;1.08,-21.83,;1.89,-23.13,;3.43,-23.09,;4.16,-21.73,;3.34,-20.42,;4.23,-24.39,;3.5,-25.75,;4.3,-27.05,;5.84,-27.01,;6.57,-25.66,;5.77,-24.34,;6.64,-28.33,;7.4,-29.65,;7.97,-27.54,;5.3,-29.08,;-4.34,-19.6,;-5.37,-20.83,;-5.68,-20.08,)| Show InChI InChI=1S/C25H31F3N4O3/c26-25(27,28)18-1-2-19(29-14-18)31-5-7-32(8-6-31)24(3-4-24)21(33)30-20-16-9-15-10-17(20)13-23(11-15,12-16)22(34)35/h1-2,14-17,20H,3-13H2,(H,30,33)(H,34,35)/t15-,16?,17?,20-,23- | 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 | 45 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195291
(4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:25.27,29.36,TLB: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,(-.43,-31.93,;.38,-33.24,;1.71,-32.46,;1.2,-34.54,;.46,-35.9,;1.27,-37.21,;2.81,-37.16,;3.54,-35.81,;2.72,-34.49,;3.61,-38.47,;2.88,-39.82,;3.68,-41.13,;5.22,-41.09,;5.95,-39.73,;5.15,-38.42,;6.02,-42.4,;6.78,-43.73,;7.35,-41.62,;4.68,-43.16,;-.9,-34.09,;-.81,-35.62,;-2.28,-33.4,;-3.56,-34.25,;-3.58,-35.78,;-4.59,-37.06,;-5.99,-36.49,;-6,-34.9,;-4.96,-33.67,;-6.31,-34.15,;-6.3,-35.64,;-7.5,-36.91,;-4.97,-36.13,;-7.84,-35.63,;-8.62,-36.96,;-8.6,-34.29,)| Show InChI InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,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 | 45 | 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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