Found 804 hits with Last Name = 'stolarik' and Initial = 'd' 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)) | BDBM50197404
(2-(2,6-dichloro-4-fluoro-phenoxy)-2-methyl-N-(5-su...)Show SMILES CC(C)(Oc1c(Cl)cc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.19,17.28,21.21,wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:17:24.19.20:22,16:21:24:25.18.17,TEB:18:19:22:25.17.16,20:21:25:24.19.18,(24.03,-36.5,;24.84,-37.8,;25.66,-39.11,;26.17,-37.02,;27.51,-37.78,;28.83,-37,;28.81,-35.46,;30.17,-37.75,;30.18,-39.3,;31.52,-40.06,;28.85,-40.08,;27.52,-39.32,;26.19,-40.1,;23.56,-38.65,;23.65,-40.19,;22.18,-37.97,;20.9,-38.82,;20.89,-40.35,;19.87,-41.62,;18.47,-41.06,;18.46,-39.47,;19.5,-38.24,;18.15,-38.72,;18.16,-40.2,;16.97,-41.48,;19.49,-40.69,;16.67,-39.79,;15.17,-39.39,;17.07,-38.31,;16.26,-41.28,)| Show InChI InChI=1S/C20H25Cl2FN2O4S/c1-19(2,29-17-14(21)5-13(23)6-15(17)22)18(26)25-16-11-3-10-4-12(16)9-20(7-10,8-11)30(24,27)28/h5-6,10-12,16H,3-4,7-9H2,1-2H3,(H,25,26)(H2,24,27,28)/t10?,11?,12?,16-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197418
(2-(2-chloro-phenoxy)-N-(5-methanesulfonyl-adamanta...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(2.61,-15.76,;3.42,-17.07,;4.24,-18.37,;4.75,-16.28,;6.09,-17.05,;6.1,-18.59,;7.44,-19.35,;8.77,-18.57,;8.76,-17.02,;7.41,-16.26,;7.39,-14.72,;2.14,-17.92,;2.23,-19.46,;.76,-17.23,;-.53,-18.08,;-.54,-19.61,;-1.56,-20.89,;-2.97,-20.33,;-2.97,-18.74,;-1.93,-17.5,;-3.28,-17.98,;-3.27,-19.47,;-4.47,-20.75,;-1.94,-19.96,;-4.77,-19.06,;-6.26,-18.66,;-4.36,-17.57,;-5.17,-20.55,)| Show InChI InChI=1S/C21H28ClNO4S/c1-20(2,27-17-7-5-4-6-16(17)22)19(24)23-18-14-8-13-9-15(18)12-21(10-13,11-14)28(3,25)26/h4-7,13-15,18H,8-12H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,21- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197399
(2-(2-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(20.57,1.97,;21.38,.67,;22.2,-.64,;22.71,1.45,;24.05,.69,;24.05,-.85,;25.39,-1.61,;26.72,-.83,;26.71,.72,;25.37,1.47,;25.35,3.01,;20.1,-.18,;20.19,-1.72,;18.72,.5,;17.44,-.35,;17.42,-1.88,;16.41,-3.16,;15.01,-2.59,;15,-1,;16.04,.23,;14.69,-.25,;14.7,-1.73,;13.5,-3.01,;16.03,-2.22,;13.21,-1.32,;11.71,-.92,;13.61,.16,;12.8,-2.81,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-6-4-3-5-15(16)21)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
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
| 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)) | BDBM50202094
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202094
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197404
(2-(2,6-dichloro-4-fluoro-phenoxy)-2-methyl-N-(5-su...)Show SMILES CC(C)(Oc1c(Cl)cc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.19,17.28,21.21,wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:17:24.19.20:22,16:21:24:25.18.17,TEB:18:19:22:25.17.16,20:21:25:24.19.18,(24.03,-36.5,;24.84,-37.8,;25.66,-39.11,;26.17,-37.02,;27.51,-37.78,;28.83,-37,;28.81,-35.46,;30.17,-37.75,;30.18,-39.3,;31.52,-40.06,;28.85,-40.08,;27.52,-39.32,;26.19,-40.1,;23.56,-38.65,;23.65,-40.19,;22.18,-37.97,;20.9,-38.82,;20.89,-40.35,;19.87,-41.62,;18.47,-41.06,;18.46,-39.47,;19.5,-38.24,;18.15,-38.72,;18.16,-40.2,;16.97,-41.48,;19.49,-40.69,;16.67,-39.79,;15.17,-39.39,;17.07,-38.31,;16.26,-41.28,)| Show InChI InChI=1S/C20H25Cl2FN2O4S/c1-19(2,29-17-14(21)5-13(23)6-15(17)22)18(26)25-16-11-3-10-4-12(16)9-20(7-10,8-11)30(24,27)28/h5-6,10-12,16H,3-4,7-9H2,1-2H3,(H,25,26)(H2,24,27,28)/t10?,11?,12?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197416
(2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-(5-sulfam...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.86,-37.78,;3.68,-39.09,;4.49,-40.39,;5.01,-38.31,;6.35,-39.07,;6.35,-40.6,;7.69,-41.36,;9.02,-40.58,;10.36,-41.34,;9,-39.03,;7.67,-38.28,;7.65,-36.74,;2.4,-39.94,;2.49,-41.47,;1.02,-39.25,;-.27,-40.1,;-.28,-41.63,;-1.29,-42.91,;-2.7,-42.34,;-2.7,-40.75,;-1.66,-39.52,;-3.01,-40,;-3,-41.49,;-4.2,-42.76,;-1.67,-41.98,;-4.5,-41.07,;-5.99,-40.67,;-4.09,-39.59,;-4.9,-42.56,)| Show InChI InChI=1S/C20H26ClFN2O4S/c1-19(2,28-16-4-3-14(22)7-15(16)21)18(25)24-17-12-5-11-6-13(17)10-20(8-11,9-12)29(23,26)27/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,25)(H2,23,26,27)/t11?,12?,13?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197410
(2-methyl-N-(5-sulfamoyl-adamantan-2-yl)-2-(2-trifl...)Show SMILES CC(C)(Oc1ccccc1OC(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.30,23.23,21.22,wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,TEB:22:21:27:23.24.18,22:23:27:26.21.20,(22.5,-25.65,;23.31,-26.95,;24.12,-28.26,;24.64,-26.17,;25.98,-26.93,;25.98,-28.47,;27.32,-29.23,;28.65,-28.45,;28.64,-26.9,;27.3,-26.15,;27.28,-24.61,;28.6,-23.82,;29.93,-23.04,;27.82,-22.5,;29.39,-25.15,;22.03,-27.8,;22.12,-29.34,;20.65,-27.12,;19.36,-27.97,;19.35,-29.5,;18.34,-30.77,;16.93,-30.21,;16.93,-28.62,;17.97,-27.39,;16.62,-27.87,;16.63,-29.35,;15.43,-30.63,;17.96,-29.84,;15.14,-28.94,;13.64,-28.54,;15.54,-27.46,;14.73,-30.43,)| Show InChI InChI=1S/C21H27F3N2O5S/c1-19(2,30-15-5-3-4-6-16(15)31-21(22,23)24)18(27)26-17-13-7-12-8-14(17)11-20(9-12,10-13)32(25,28)29/h3-6,12-14,17H,7-11H2,1-2H3,(H,26,27)(H2,25,28,29)/t12?,13?,14?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
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)) | 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)) | BDBM50197403
(CHEMBL393167 | N-(5-methanesulfonyl-adamantan-2-yl...)Show SMILES CC(C)(Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:20.20,18.29,22.22,wU:17.17,wD:24.30,TLB:17:18:25:21.22.23,16:17:25.20.21:23,THB:19:18:25.20.21:23,17:22:25:26.19.18,TEB:19:20:23:26.18.17,21:22:26:25.20.19,(22.98,-26.47,;23.79,-27.78,;24.61,-29.08,;25.12,-27,;26.46,-27.76,;26.47,-29.29,;27.8,-30.05,;29.13,-29.27,;29.12,-27.73,;27.78,-26.97,;27.76,-25.43,;27.75,-23.89,;26.22,-25.45,;29.3,-25.43,;22.51,-28.63,;22.6,-30.16,;21.13,-27.94,;19.85,-28.79,;19.84,-30.32,;18.82,-31.6,;17.42,-31.03,;17.41,-29.44,;18.45,-28.21,;17.1,-28.69,;17.11,-30.18,;15.92,-31.45,;18.44,-30.67,;15.62,-29.77,;14.12,-29.36,;16.02,-28.28,;15.21,-31.25,)| Show InChI InChI=1S/C22H28F3NO4S/c1-20(2,30-17-7-5-4-6-16(17)22(23,24)25)19(27)26-18-14-8-13-9-15(18)12-21(10-13,11-14)31(3,28)29/h4-7,13-15,18H,8-12H2,1-3H3,(H,26,27)/t13?,14?,15?,18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202094
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197412
(CHEMBL241711 | N-(5-carbamoylmethanesulfonyl-adama...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(=O)(=O)CC(N)=O |w:16.27,20.20,18.19,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:18:21:24.16.15,17:16:23.18.19:21,15:20:23:24.17.16,TEB:19:18:24:20.21.15,19:20:24:23.18.17,(4.92,-5.99,;5.74,-7.3,;6.55,-8.6,;7.06,-6.51,;8.4,-7.28,;8.41,-8.82,;9.75,-9.57,;11.08,-8.8,;12.42,-9.55,;11.06,-7.25,;9.72,-6.49,;9.7,-4.95,;4.45,-8.15,;4.55,-9.68,;3.07,-7.46,;1.79,-8.31,;1.78,-9.84,;.76,-11.12,;-.65,-10.56,;-.65,-8.96,;.39,-7.73,;-.96,-8.21,;-.95,-9.7,;-2.15,-10.97,;.38,-10.18,;-2.45,-9.29,;-2.04,-7.8,;-2.85,-10.77,;-3.94,-8.88,;-4.33,-7.39,;-5.82,-6.98,;-3.24,-6.3,)| Show InChI InChI=1S/C22H28ClFN2O5S/c1-21(2,31-17-4-3-15(24)7-16(17)23)20(28)26-19-13-5-12-6-14(19)10-22(8-12,9-13)32(29,30)11-18(25)27/h3-4,7,12-14,19H,5-6,8-11H2,1-2H3,(H2,25,27)(H,26,28)/t12?,13?,14?,19-,22- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197399
(2-(2-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(20.57,1.97,;21.38,.67,;22.2,-.64,;22.71,1.45,;24.05,.69,;24.05,-.85,;25.39,-1.61,;26.72,-.83,;26.71,.72,;25.37,1.47,;25.35,3.01,;20.1,-.18,;20.19,-1.72,;18.72,.5,;17.44,-.35,;17.42,-1.88,;16.41,-3.16,;15.01,-2.59,;15,-1,;16.04,.23,;14.69,-.25,;14.7,-1.73,;13.5,-3.01,;16.03,-2.22,;13.21,-1.32,;11.71,-.92,;13.61,.16,;12.8,-2.81,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-6-4-3-5-15(16)21)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202102
(CHEMBL375156 | N-(5-Hydroxy-adamantan-2-yl)-2-[4-(...)Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(-1.15,-33.95,;-1.14,-35.49,;.19,-36.26,;.19,-37.8,;1.52,-38.56,;2.85,-37.8,;2.85,-36.25,;1.52,-35.48,;4.19,-38.57,;4.18,-40.11,;5.51,-40.88,;6.84,-40.11,;6.84,-38.56,;5.51,-37.8,;8.18,-40.88,;9.46,-41.72,;8.99,-39.57,;7.38,-42.19,;-2.48,-36.27,;-2.47,-37.81,;-3.81,-35.5,;-5.14,-36.28,;-5.24,-37.8,;-6.33,-39.02,;-7.7,-38.37,;-7.61,-36.79,;-6.5,-35.62,;-7.88,-36.01,;-7.95,-37.5,;-9.42,-37,;-9.22,-38.7,;-6.66,-38.06,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14?,15?,16?,17?,20-,22- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202085
((R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluo...)Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,1.0,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(19.54,-43.75,;19.58,-45.29,;20.93,-46.02,;20.92,-47.57,;22.25,-48.34,;23.59,-47.58,;23.59,-46.04,;22.26,-45.26,;24.89,-48.41,;24.81,-49.94,;26.11,-50.77,;27.48,-50.06,;27.54,-48.51,;26.24,-47.69,;28.78,-50.88,;30.09,-51.68,;27.97,-52.19,;29.6,-49.58,;18.27,-46.09,;18.31,-47.63,;16.91,-45.36,;15.6,-46.16,;15.54,-47.69,;14.48,-48.93,;13.09,-48.31,;13.14,-46.73,;14.23,-45.53,;12.86,-45.96,;12.82,-47.45,;11.5,-46.64,;11.58,-48.68,;14.13,-47.98,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14-,15?,16?,17?,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197414
(2-(2-chloro-4-fluoro-phenoxy)-N-(5-methanesulfonyl...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.51,4.26,;3.34,2.95,;4.16,1.64,;4.67,3.73,;6.01,2.96,;6.02,1.43,;7.36,.67,;8.69,1.44,;10.03,.69,;8.67,3,;7.33,3.75,;7.32,5.3,;2.05,2.1,;2.14,.56,;.67,2.78,;-.62,1.93,;-.63,.4,;-1.64,-.88,;-3.05,-.32,;-3.06,1.28,;-2.02,2.51,;-3.37,2.03,;-3.36,.54,;-4.56,-.74,;-2.03,.05,;-4.86,.95,;-6.35,1.36,;-4.45,2.44,;-5.27,-.53,)| Show InChI InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12?,13?,14?,18-,21- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202087
(CHEMBL374728 | N-[(1R,3S)-5-hydroxy-2-adamantyl]-2...)Show SMILES CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.21,wD:26.30,TLB:19:20:28:23.24.25,18:19:28.22.23:25,THB:21:22:25:29.20.19,21:20:28.22.23:25,19:24:28:29.21.20,(.95,-44.73,;.96,-46.27,;2.31,-47.02,;2.21,-48.56,;3.35,-49.6,;4.88,-49.34,;5.66,-50.67,;7.21,-50.65,;7.96,-49.29,;9.45,-48.94,;9.58,-47.41,;8.17,-46.82,;7.17,-47.97,;5.63,-48,;5.05,-46.58,;3.56,-46.15,;-.36,-47.05,;-.34,-48.59,;-1.7,-46.3,;-2.98,-47.15,;-2.99,-48.68,;-3.99,-49.97,;-5.4,-49.41,;-5.41,-47.83,;-4.38,-46.58,;-5.73,-47.07,;-5.71,-48.55,;-7.26,-47.91,;-6.9,-49.84,;-4.38,-49.04,)| Show InChI InChI=1S/C24H32N2O4/c1-14(23(27)25-21-17-8-15-9-18(21)12-24(28,10-15)11-17)26-6-4-16-2-3-20-22(30-13-29-20)19(16)5-7-26/h2-3,14-15,17-18,21,28H,4-13H2,1H3,(H,25,27)/t14?,15?,17?,18?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
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
(Homo sapiens (Human)) | BDBM50197408
(2-(3-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(.77,-7.03,;1.59,-8.34,;2.4,-9.65,;2.92,-7.56,;4.26,-8.32,;4.26,-9.86,;5.6,-10.62,;6.93,-9.84,;6.91,-8.29,;8.24,-7.5,;5.57,-7.54,;.3,-9.19,;.4,-10.73,;-1.07,-8.5,;-2.36,-9.36,;-2.37,-10.88,;-3.38,-12.16,;-4.79,-11.6,;-4.79,-10.01,;-3.75,-8.78,;-5.1,-9.26,;-5.09,-10.74,;-6.29,-12.02,;-3.77,-11.23,;-6.59,-10.33,;-8.08,-9.92,;-6.18,-8.84,;-7,-11.81,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-4-15(21)8-16)18(24)23-17-13-6-12-7-14(17)11-20(9-12,10-13)28(22,25)26/h3-5,8,12-14,17H,6-7,9-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202085
((R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluo...)Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,1.0,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(19.54,-43.75,;19.58,-45.29,;20.93,-46.02,;20.92,-47.57,;22.25,-48.34,;23.59,-47.58,;23.59,-46.04,;22.26,-45.26,;24.89,-48.41,;24.81,-49.94,;26.11,-50.77,;27.48,-50.06,;27.54,-48.51,;26.24,-47.69,;28.78,-50.88,;30.09,-51.68,;27.97,-52.19,;29.6,-49.58,;18.27,-46.09,;18.31,-47.63,;16.91,-45.36,;15.6,-46.16,;15.54,-47.69,;14.48,-48.93,;13.09,-48.31,;13.14,-46.73,;14.23,-45.53,;12.86,-45.96,;12.82,-47.45,;11.5,-46.64,;11.58,-48.68,;14.13,-47.98,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14-,15?,16?,17?,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197402
(2-(4-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(13.59,-42.74,;14.41,-44.05,;15.22,-45.36,;15.73,-43.27,;17.07,-44.03,;17.08,-45.56,;18.42,-46.32,;19.75,-45.54,;21.09,-46.3,;19.73,-44,;18.39,-43.24,;13.12,-44.9,;13.22,-46.44,;11.74,-44.21,;10.46,-45.06,;10.45,-46.59,;9.43,-47.87,;8.03,-47.3,;8.02,-45.71,;9.06,-44.48,;7.72,-44.96,;7.72,-46.45,;6.53,-47.72,;9.05,-46.94,;6.23,-46.04,;4.74,-45.63,;6.64,-44.55,;5.82,-47.52,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50202085
((R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluo...)Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,1.0,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(19.54,-43.75,;19.58,-45.29,;20.93,-46.02,;20.92,-47.57,;22.25,-48.34,;23.59,-47.58,;23.59,-46.04,;22.26,-45.26,;24.89,-48.41,;24.81,-49.94,;26.11,-50.77,;27.48,-50.06,;27.54,-48.51,;26.24,-47.69,;28.78,-50.88,;30.09,-51.68,;27.97,-52.19,;29.6,-49.58,;18.27,-46.09,;18.31,-47.63,;16.91,-45.36,;15.6,-46.16,;15.54,-47.69,;14.48,-48.93,;13.09,-48.31,;13.14,-46.73,;14.23,-45.53,;12.86,-45.96,;12.82,-47.45,;11.5,-46.64,;11.58,-48.68,;14.13,-47.98,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14-,15?,16?,17?,20-,22-/m0/s1 | 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50202087
(CHEMBL374728 | N-[(1R,3S)-5-hydroxy-2-adamantyl]-2...)Show SMILES CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.21,wD:26.30,TLB:19:20:28:23.24.25,18:19:28.22.23:25,THB:21:22:25:29.20.19,21:20:28.22.23:25,19:24:28:29.21.20,(.95,-44.73,;.96,-46.27,;2.31,-47.02,;2.21,-48.56,;3.35,-49.6,;4.88,-49.34,;5.66,-50.67,;7.21,-50.65,;7.96,-49.29,;9.45,-48.94,;9.58,-47.41,;8.17,-46.82,;7.17,-47.97,;5.63,-48,;5.05,-46.58,;3.56,-46.15,;-.36,-47.05,;-.34,-48.59,;-1.7,-46.3,;-2.98,-47.15,;-2.99,-48.68,;-3.99,-49.97,;-5.4,-49.41,;-5.41,-47.83,;-4.38,-46.58,;-5.73,-47.07,;-5.71,-48.55,;-7.26,-47.91,;-6.9,-49.84,;-4.38,-49.04,)| Show InChI InChI=1S/C24H32N2O4/c1-14(23(27)25-21-17-8-15-9-18(21)12-24(28,10-15)11-17)26-6-4-16-2-3-20-22(30-13-29-20)19(16)5-7-26/h2-3,14-15,17-18,21,28H,4-13H2,1H3,(H,25,27)/t14?,15?,17?,18?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202102
(CHEMBL375156 | N-(5-Hydroxy-adamantan-2-yl)-2-[4-(...)Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(-1.15,-33.95,;-1.14,-35.49,;.19,-36.26,;.19,-37.8,;1.52,-38.56,;2.85,-37.8,;2.85,-36.25,;1.52,-35.48,;4.19,-38.57,;4.18,-40.11,;5.51,-40.88,;6.84,-40.11,;6.84,-38.56,;5.51,-37.8,;8.18,-40.88,;9.46,-41.72,;8.99,-39.57,;7.38,-42.19,;-2.48,-36.27,;-2.47,-37.81,;-3.81,-35.5,;-5.14,-36.28,;-5.24,-37.8,;-6.33,-39.02,;-7.7,-38.37,;-7.61,-36.79,;-6.5,-35.62,;-7.88,-36.01,;-7.95,-37.5,;-9.42,-37,;-9.22,-38.7,;-6.66,-38.06,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14?,15?,16?,17?,20-,22- | 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202105
(CHEMBL218093 | N-adamantan-2-yl-2-[4-(4-chloro-phe...)Show SMILES Clc1ccc(cc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:14:15:19.20.22:24,15:16:19:22.23.24,15:23:19:17.21.16,(23.9,-3.58,;22.58,-2.79,;21.23,-3.53,;19.91,-2.74,;19.94,-1.2,;21.28,-.45,;22.6,-1.24,;18.62,-.4,;17.3,-1.2,;15.96,-.46,;15.93,1.09,;14.56,1.8,;13.26,.96,;13.34,-.58,;11.89,1.66,;10.6,.83,;10.57,-.7,;9.17,-1.03,;7.84,-.53,;6.63,-1.79,;8.14,-1.39,;9.54,-1.97,;8.15,.2,;9.21,1.42,;7.85,.96,;17.24,1.89,;18.59,1.14,)| Show InChI InChI=1S/C22H30ClN3O/c23-19-1-3-20(4-2-19)26-7-5-25(6-8-26)14-21(27)24-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,22H,5-14H2,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197418
(2-(2-chloro-phenoxy)-N-(5-methanesulfonyl-adamanta...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(2.61,-15.76,;3.42,-17.07,;4.24,-18.37,;4.75,-16.28,;6.09,-17.05,;6.1,-18.59,;7.44,-19.35,;8.77,-18.57,;8.76,-17.02,;7.41,-16.26,;7.39,-14.72,;2.14,-17.92,;2.23,-19.46,;.76,-17.23,;-.53,-18.08,;-.54,-19.61,;-1.56,-20.89,;-2.97,-20.33,;-2.97,-18.74,;-1.93,-17.5,;-3.28,-17.98,;-3.27,-19.47,;-4.47,-20.75,;-1.94,-19.96,;-4.77,-19.06,;-6.26,-18.66,;-4.36,-17.57,;-5.17,-20.55,)| Show InChI InChI=1S/C21H28ClNO4S/c1-20(2,27-17-7-5-4-6-16(17)22)19(24)23-18-14-8-13-9-15(18)12-21(10-13,11-14)28(3,25)26/h4-7,13-15,18H,8-12H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,21- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50202085
((R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluo...)Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,1.0,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(19.54,-43.75,;19.58,-45.29,;20.93,-46.02,;20.92,-47.57,;22.25,-48.34,;23.59,-47.58,;23.59,-46.04,;22.26,-45.26,;24.89,-48.41,;24.81,-49.94,;26.11,-50.77,;27.48,-50.06,;27.54,-48.51,;26.24,-47.69,;28.78,-50.88,;30.09,-51.68,;27.97,-52.19,;29.6,-49.58,;18.27,-46.09,;18.31,-47.63,;16.91,-45.36,;15.6,-46.16,;15.54,-47.69,;14.48,-48.93,;13.09,-48.31,;13.14,-46.73,;14.23,-45.53,;12.86,-45.96,;12.82,-47.45,;11.5,-46.64,;11.58,-48.68,;14.13,-47.98,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14-,15?,16?,17?,20-,22-/m0/s1 | 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
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
(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
(Homo sapiens (Human)) | BDBM50197402
(2-(4-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(13.59,-42.74,;14.41,-44.05,;15.22,-45.36,;15.73,-43.27,;17.07,-44.03,;17.08,-45.56,;18.42,-46.32,;19.75,-45.54,;21.09,-46.3,;19.73,-44,;18.39,-43.24,;13.12,-44.9,;13.22,-46.44,;11.74,-44.21,;10.46,-45.06,;10.45,-46.59,;9.43,-47.87,;8.03,-47.3,;8.02,-45.71,;9.06,-44.48,;7.72,-44.96,;7.72,-46.45,;6.53,-47.72,;9.05,-46.94,;6.23,-46.04,;4.74,-45.63,;6.64,-44.55,;5.82,-47.52,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202093
(2-[3-(2-fluoro-phenoxy)-azetidin-1-yl]-N-(5-hydrox...)Show SMILES CC(N1CC(C1)Oc1ccccc1F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:17.18,wD:24.27,TLB:17:18:26:21.22.23,16:17:26.20.21:23,THB:19:20:23:27.18.17,19:18:26.20.21:23,17:22:26:27.19.18,(24.76,-36.3,;24.78,-37.84,;26.12,-38.59,;26.53,-40.07,;28.01,-39.66,;27.6,-38.17,;29.34,-40.41,;30.67,-39.62,;32.01,-40.38,;33.33,-39.6,;33.31,-38.06,;31.96,-37.3,;30.64,-38.09,;29.3,-37.34,;23.45,-38.62,;23.47,-40.16,;22.11,-37.87,;20.83,-38.72,;20.83,-40.25,;19.82,-41.54,;18.42,-40.98,;18.4,-39.39,;19.43,-38.15,;18.09,-38.64,;18.11,-40.12,;16.55,-39.48,;16.92,-41.41,;19.44,-40.61,)| Show InChI InChI=1S/C22H29FN2O3/c1-13(25-11-17(12-25)28-19-5-3-2-4-18(19)23)21(26)24-20-15-6-14-7-16(20)10-22(27,8-14)9-15/h2-5,13-17,20,27H,6-12H2,1H3,(H,24,26)/t13?,14?,15?,16?,20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197416
(2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-(5-sulfam...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.86,-37.78,;3.68,-39.09,;4.49,-40.39,;5.01,-38.31,;6.35,-39.07,;6.35,-40.6,;7.69,-41.36,;9.02,-40.58,;10.36,-41.34,;9,-39.03,;7.67,-38.28,;7.65,-36.74,;2.4,-39.94,;2.49,-41.47,;1.02,-39.25,;-.27,-40.1,;-.28,-41.63,;-1.29,-42.91,;-2.7,-42.34,;-2.7,-40.75,;-1.66,-39.52,;-3.01,-40,;-3,-41.49,;-4.2,-42.76,;-1.67,-41.98,;-4.5,-41.07,;-5.99,-40.67,;-4.09,-39.59,;-4.9,-42.56,)| Show InChI InChI=1S/C20H26ClFN2O4S/c1-19(2,28-16-4-3-14(22)7-15(16)21)18(25)24-17-12-5-11-6-13(17)10-20(8-11,9-12)29(23,26)27/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,25)(H2,23,26,27)/t11?,12?,13?,17-,20- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202090
(CHEMBL219443 | N-(7-hydroxy-5-methoxy-adamantan-2-...)Show SMILES CO[C@]12CC3C[C@](O)(CC(C1)C3NC(=O)C(C)(C)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2 |r,TLB:11:4:34:10.9.8,11:9:34:5.3.4,12:11:34.2.10:8,THB:3:2:8:5.4.11,3:4:34.2.10:8,1:2:8:5.4.11| Show InChI InChI=1S/C25H35F3N4O3/c1-22(2,32-8-6-31(7-9-32)19-5-4-18(14-29-19)25(26,27)28)21(33)30-20-16-10-23(34)11-17(20)13-24(12-16,15-23)35-3/h4-5,14,16-17,20,34H,6-13,15H2,1-3H3,(H,30,33)/t16?,17?,20?,23-,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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202104
((E)-N-(5-methoxy-adamantan-2-yl)-2-[4-(5-trifluoro...)Show SMILES CO[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:8.9,wD:2.1,TLB:5:4:32:7.6.8,5:6:3.4.31:32,THB:8:6:3:31.30.32,8:30:3:7.5.6,9:8:3.4.31:32,(-11.76,-8.87,;-10.48,-7.77,;-8.89,-8.33,;-10.15,-9.55,;-8.63,-9.2,;-7.25,-9.82,;-6.18,-8.59,;-7.59,-8.88,;-6.1,-7.07,;-4.78,-6.27,;-3.43,-7.02,;-3.41,-8.56,;-2.11,-6.23,;-2.14,-4.69,;-.77,-6.98,;-.78,-8.53,;.54,-9.3,;1.88,-8.54,;1.89,-6.99,;.55,-6.21,;3.18,-9.36,;3.11,-10.9,;4.41,-11.72,;5.78,-11.01,;5.84,-9.47,;4.54,-8.65,;7.08,-11.84,;8.38,-12.64,;6.26,-13.14,;7.9,-10.54,;-7.47,-6.43,;-8.56,-7.61,;-8.84,-6.84,)| Show InChI InChI=1S/C24H33F3N4O2/c1-15(22(32)29-21-17-9-16-10-18(21)13-23(11-16,12-17)33-2)30-5-7-31(8-6-30)20-4-3-19(14-28-20)24(25,26)27/h3-4,14-18,21H,5-13H2,1-2H3,(H,29,32)/t15?,16?,17?,18?,21-,23- | 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 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197408
(2-(3-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(.77,-7.03,;1.59,-8.34,;2.4,-9.65,;2.92,-7.56,;4.26,-8.32,;4.26,-9.86,;5.6,-10.62,;6.93,-9.84,;6.91,-8.29,;8.24,-7.5,;5.57,-7.54,;.3,-9.19,;.4,-10.73,;-1.07,-8.5,;-2.36,-9.36,;-2.37,-10.88,;-3.38,-12.16,;-4.79,-11.6,;-4.79,-10.01,;-3.75,-8.78,;-5.1,-9.26,;-5.09,-10.74,;-6.29,-12.02,;-3.77,-11.23,;-6.59,-10.33,;-8.08,-9.92,;-6.18,-8.84,;-7,-11.81,)| Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-4-15(21)8-16)18(24)23-17-13-6-12-7-14(17)11-20(9-12,10-13)28(22,25)26/h3-5,8,12-14,17H,6-7,9-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PC cid
PC sid
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| 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 mouse HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
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
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| 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)) | 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
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antibodypedia
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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
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antibodypedia
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| 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
(Rattus norvegicus (rat)) | BDBM50202086
(CHEMBL219142 | N-[(E)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:30:6.5.7,4:5:2.3.29:30,THB:7:5:2:29.28.30,7:28:2:6.4.5,8:7:2.3.29:30,(1.8,-8.48,;3.15,-9.25,;1.93,-10.52,;3.44,-10.11,;4.84,-10.69,;5.87,-9.43,;4.47,-9.76,;5.9,-7.9,;7.19,-7.07,;8.56,-7.77,;8.64,-9.31,;9.85,-6.93,;11.23,-7.63,;11.25,-9.18,;12.59,-9.92,;13.92,-9.13,;13.88,-7.59,;12.53,-6.84,;15.23,-9.92,;15.2,-11.46,;16.52,-12.26,;17.87,-11.51,;17.89,-9.96,;16.57,-9.18,;19.19,-12.31,;20.51,-13.07,;18.4,-13.63,;19.98,-10.98,;4.51,-7.31,;3.45,-8.53,;3.16,-7.77,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| 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
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197410
(2-methyl-N-(5-sulfamoyl-adamantan-2-yl)-2-(2-trifl...)Show SMILES CC(C)(Oc1ccccc1OC(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.30,23.23,21.22,wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,TEB:22:21:27:23.24.18,22:23:27:26.21.20,(22.5,-25.65,;23.31,-26.95,;24.12,-28.26,;24.64,-26.17,;25.98,-26.93,;25.98,-28.47,;27.32,-29.23,;28.65,-28.45,;28.64,-26.9,;27.3,-26.15,;27.28,-24.61,;28.6,-23.82,;29.93,-23.04,;27.82,-22.5,;29.39,-25.15,;22.03,-27.8,;22.12,-29.34,;20.65,-27.12,;19.36,-27.97,;19.35,-29.5,;18.34,-30.77,;16.93,-30.21,;16.93,-28.62,;17.97,-27.39,;16.62,-27.87,;16.63,-29.35,;15.43,-30.63,;17.96,-29.84,;15.14,-28.94,;13.64,-28.54,;15.54,-27.46,;14.73,-30.43,)| Show InChI InChI=1S/C21H27F3N2O5S/c1-19(2,30-15-5-3-4-6-16(15)31-21(22,23)24)18(27)26-17-13-7-12-8-14(17)11-20(9-12,10-13)32(25,28)29/h3-6,12-14,17H,7-11H2,1-2H3,(H,26,27)(H2,25,28,29)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197405
(2-(4-chloro-phenoxy)-N-(5-methanesulfonyl-adamanta...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(1.59,-26.17,;2.41,-27.48,;3.22,-28.79,;3.74,-26.7,;5.08,-27.46,;5.09,-29,;6.43,-29.76,;7.75,-28.98,;9.09,-29.74,;7.73,-27.43,;6.39,-26.68,;1.12,-28.34,;1.22,-29.87,;-.26,-27.64,;-1.54,-28.5,;-1.55,-30.03,;-2.56,-31.31,;-3.97,-30.74,;-3.98,-29.15,;-2.94,-27.92,;-4.28,-28.4,;-4.27,-29.89,;-5.47,-31.16,;-2.95,-30.37,;-5.77,-29.47,;-7.26,-29.07,;-5.37,-27.99,;-6.18,-30.95,)| Show InChI InChI=1S/C21H28ClNO4S/c1-20(2,27-17-6-4-16(22)5-7-17)19(24)23-18-14-8-13-9-15(18)12-21(10-13,11-14)28(3,25)26/h4-7,13-15,18H,8-12H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197403
(CHEMBL393167 | N-(5-methanesulfonyl-adamantan-2-yl...)Show SMILES CC(C)(Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:20.20,18.29,22.22,wU:17.17,wD:24.30,TLB:17:18:25:21.22.23,16:17:25.20.21:23,THB:19:18:25.20.21:23,17:22:25:26.19.18,TEB:19:20:23:26.18.17,21:22:26:25.20.19,(22.98,-26.47,;23.79,-27.78,;24.61,-29.08,;25.12,-27,;26.46,-27.76,;26.47,-29.29,;27.8,-30.05,;29.13,-29.27,;29.12,-27.73,;27.78,-26.97,;27.76,-25.43,;27.75,-23.89,;26.22,-25.45,;29.3,-25.43,;22.51,-28.63,;22.6,-30.16,;21.13,-27.94,;19.85,-28.79,;19.84,-30.32,;18.82,-31.6,;17.42,-31.03,;17.41,-29.44,;18.45,-28.21,;17.1,-28.69,;17.11,-30.18,;15.92,-31.45,;18.44,-30.67,;15.62,-29.77,;14.12,-29.36,;16.02,-28.28,;15.21,-31.25,)| Show InChI InChI=1S/C22H28F3NO4S/c1-20(2,30-17-7-5-4-6-16(17)22(23,24)25)19(27)26-18-14-8-13-9-15(18)12-21(10-13,11-14)31(3,28)29/h4-7,13-15,18H,8-12H2,1-3H3,(H,26,27)/t13?,14?,15?,18-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50197409
(2-(2-chloro-4-fluoro-phenoxy)-N-(5-ethanesulfonyl-...)Show SMILES CCS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1Cl)C(C3)C2 |w:7.6,9.9,27.29,wU:11.12,wD:5.4,TLB:8:7:29:10.9.11,8:9:6.7.28:29,THB:11:9:6:28.27.29,11:27:6:10.8.9,12:11:6.7.28:29,TEB:28:27:10:6.7.8,(16.68,2.77,;17.08,1.28,;18.56,.87,;18.97,2.37,;18.16,-.61,;20.06,.46,;18.87,-.81,;20.37,-.39,;21.78,-.96,;22.79,.32,;21.39,-.02,;22.8,1.85,;24.08,2.7,;25.46,2.01,;25.56,.48,;26.74,2.86,;25.89,4.15,;27.6,1.58,;28.03,3.71,;29.4,3.03,;29.5,1.49,;30.87,.81,;32.15,1.66,;33.54,.97,;32.06,3.2,;30.68,3.88,;30.58,5.42,;21.4,2.43,;20.36,1.2,;20.05,1.95,)| Show InChI InChI=1S/C22H29ClFNO4S/c1-4-30(27,28)22-10-13-7-14(11-22)19(15(8-13)12-22)25-20(26)21(2,3)29-18-6-5-16(24)9-17(18)23/h5-6,9,13-15,19H,4,7-8,10-12H2,1-3H3,(H,25,26)/t13?,14?,15?,19-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 mouse HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197414
(2-(2-chloro-4-fluoro-phenoxy)-N-(5-methanesulfonyl...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.51,4.26,;3.34,2.95,;4.16,1.64,;4.67,3.73,;6.01,2.96,;6.02,1.43,;7.36,.67,;8.69,1.44,;10.03,.69,;8.67,3,;7.33,3.75,;7.32,5.3,;2.05,2.1,;2.14,.56,;.67,2.78,;-.62,1.93,;-.63,.4,;-1.64,-.88,;-3.05,-.32,;-3.06,1.28,;-2.02,2.51,;-3.37,2.03,;-3.36,.54,;-4.56,-.74,;-2.03,.05,;-4.86,.95,;-6.35,1.36,;-4.45,2.44,;-5.27,-.53,)| Show InChI InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12?,13?,14?,18-,21- | 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 HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
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 | |
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