Found 327 hits with Last Name = 'chovan' and Initial = 'l' 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)) | 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
(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)) | 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)) | 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
(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)) | 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
(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)) | 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)) | 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
(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
(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
(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)) | 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
(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
(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
(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)) | 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)) | 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
(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
(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
(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)) | 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)) | 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)) | 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
(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
(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)) | 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
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 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)) | 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
(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
(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
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
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)) | 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
(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)) | 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
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)) | 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
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
(Mus musculus (mouse)) | 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
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 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)) | BDBM50197400
(2-(4-fluoro-2-methoxy-phenoxy)-N-(5-methanesulfony...)Show SMILES COc1cc(F)ccc1OC(C)(C)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=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,(6.98,-34.62,;5.66,-35.4,;5.67,-36.94,;7.01,-37.7,;7.03,-39.24,;8.37,-40,;5.7,-40.02,;4.36,-39.26,;4.36,-37.73,;3.02,-36.97,;1.69,-37.75,;.87,-36.44,;2.5,-39.06,;.4,-38.6,;.5,-40.14,;-.97,-37.91,;-2.26,-38.76,;-2.27,-40.29,;-3.28,-41.57,;-4.69,-41,;-4.69,-39.41,;-3.65,-38.18,;-5,-38.66,;-4.99,-40.15,;-6.19,-41.42,;-3.66,-40.64,;-6.49,-39.74,;-7.98,-39.33,;-6.08,-38.25,;-6.9,-41.22,)| Show InChI InChI=1S/C22H30FNO5S/c1-21(2,29-17-6-5-16(23)9-18(17)28-3)20(25)24-19-14-7-13-8-15(19)12-22(10-13,11-14)30(4,26)27/h5-6,9,13-15,19H,7-8,10-12H2,1-4H3,(H,24,25)/t13?,14?,15?,19-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 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)) | 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)) | BDBM50202097
(CHEMBL424937 | N-[(E)-5-hydroxy-2-adamantyl]-2-met...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.23,wD:29.32,TLB:22:23:31:26.27.28,21:22:31.25.26:28,THB:24:25:28:32.23.22,24:23:31.25.26:28,22:27:31:32.24.23,(20.61,-48.3,;19.75,-47.03,;18.89,-45.75,;21.02,-46.15,;22.39,-46.86,;23.68,-46.03,;23.61,-44.49,;22.24,-43.79,;20.94,-44.62,;24.94,-43.71,;26.27,-44.47,;27.6,-43.69,;27.58,-42.15,;26.23,-41.39,;24.91,-42.18,;28.91,-41.36,;30.21,-40.56,;29.7,-42.68,;28.12,-40.04,;18.46,-47.89,;18.49,-49.43,;17.12,-47.14,;15.8,-47.93,;15.72,-49.46,;14.65,-50.69,;13.27,-50.06,;13.33,-48.48,;14.43,-47.29,;13.06,-47.71,;13,-49.19,;11.69,-48.37,;11.75,-50.41,;14.31,-49.74,)| Show InChI InChI=1S/C24H33F3N4O2/c1-22(2,21(32)29-20-16-9-15-10-17(20)13-23(33,11-15)12-16)31-7-5-30(6-8-31)19-4-3-18(14-28-19)24(25,26)27/h3-4,14-17,20,33H,5-13H2,1-2H3,(H,29,32)/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
| 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 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)) | 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
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 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)) | BDBM50197411
(2-phenyl-N-(5-sulfamoyl-adamantan-2-yl)-isobutyram...)Show SMILES CC(C)(C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O)c1ccccc1 |w:9.15,7.17,11.10,wU:6.5,wD:13.18,TLB:6:7:14:10.11.12,5:6:14.9.10:12,THB:8:9:12:15.7.6,8:7:14.9.10:12,6:11:14:15.8.7,TEB:10:11:15:14.9.8,(2.3,-26.92,;3.11,-28.23,;3.93,-29.54,;1.83,-29.08,;1.92,-30.62,;.45,-28.39,;-.83,-29.24,;-.85,-30.77,;-1.86,-32.05,;-3.26,-31.48,;-3.27,-29.89,;-2.23,-28.66,;-3.58,-29.14,;-3.57,-30.63,;-4.77,-31.9,;-2.24,-31.12,;-5.06,-30.22,;-6.56,-29.81,;-4.66,-28.73,;-5.47,-31.7,;4.39,-27.38,;5.77,-28.07,;7.05,-27.22,;6.96,-25.68,;5.57,-24.99,;4.29,-25.85,)| Show InChI InChI=1S/C20H28N2O3S/c1-19(2,16-6-4-3-5-7-16)18(23)22-17-14-8-13-9-15(17)12-20(10-13,11-14)26(21,24)25/h3-7,13-15,17H,8-12H2,1-2H3,(H,22,23)(H2,21,24,25)/t13?,14?,15?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 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)) | 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
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 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)) | BDBM50202097
(CHEMBL424937 | N-[(E)-5-hydroxy-2-adamantyl]-2-met...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.23,wD:29.32,TLB:22:23:31:26.27.28,21:22:31.25.26:28,THB:24:25:28:32.23.22,24:23:31.25.26:28,22:27:31:32.24.23,(20.61,-48.3,;19.75,-47.03,;18.89,-45.75,;21.02,-46.15,;22.39,-46.86,;23.68,-46.03,;23.61,-44.49,;22.24,-43.79,;20.94,-44.62,;24.94,-43.71,;26.27,-44.47,;27.6,-43.69,;27.58,-42.15,;26.23,-41.39,;24.91,-42.18,;28.91,-41.36,;30.21,-40.56,;29.7,-42.68,;28.12,-40.04,;18.46,-47.89,;18.49,-49.43,;17.12,-47.14,;15.8,-47.93,;15.72,-49.46,;14.65,-50.69,;13.27,-50.06,;13.33,-48.48,;14.43,-47.29,;13.06,-47.71,;13,-49.19,;11.69,-48.37,;11.75,-50.41,;14.31,-49.74,)| Show InChI InChI=1S/C24H33F3N4O2/c1-22(2,21(32)29-20-16-9-15-10-17(20)13-23(33,11-15)12-16)31-7-5-30(6-8-31)19-4-3-18(14-28-19)24(25,26)27/h3-4,14-17,20,33H,5-13H2,1-2H3,(H,29,32)/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 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)) | BDBM50197417
(2-(4-chloro-2-fluoro-phenoxy)-N-(5-methanesulfonyl...)Show SMILES CC(C)(Oc1ccc(Cl)cc1F)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,(21.46,-36.33,;22.28,-37.64,;23.09,-38.95,;23.61,-36.86,;24.94,-37.62,;24.95,-39.16,;26.29,-39.92,;27.62,-39.14,;28.96,-39.89,;27.6,-37.59,;26.26,-36.83,;26.24,-35.29,;20.99,-38.49,;21.09,-40.03,;19.61,-37.8,;18.33,-38.65,;18.32,-40.18,;17.31,-41.46,;15.9,-40.9,;15.9,-39.3,;16.93,-38.08,;15.59,-38.55,;15.6,-40.04,;14.4,-41.32,;16.92,-40.53,;14.1,-39.63,;12.61,-39.22,;14.51,-38.14,;13.69,-41.11,)| Show InChI InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(22)8-16(17)23)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
| 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 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)) | BDBM50197419
(2-(4-chloro-phenoxy)-2-methyl-N-(5-methylsulfamoyl...)Show SMILES CNS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:7.7,9.9,26.28,wU:11.12,wD:5.4,TLB:8:9:6.7.27:28,THB:11:9:6:27.26.28,11:26:6:10.8.9,12:11:6.7.27:28,TEB:8:7:28:10.9.11,27:26:10:6.7.8,(17.16,-7.35,;17.55,-8.84,;19.05,-9.24,;19.45,-7.75,;18.64,-10.72,;20.54,-9.65,;19.35,-10.93,;20.85,-10.51,;22.25,-11.07,;23.27,-9.8,;21.87,-10.14,;23.28,-8.27,;24.56,-7.42,;25.94,-8.1,;26.03,-9.64,;27.22,-7.25,;26.41,-5.95,;28.04,-8.56,;28.55,-6.47,;29.89,-7.23,;29.9,-8.77,;31.23,-9.53,;32.56,-8.75,;33.9,-9.51,;32.55,-7.2,;31.21,-6.45,;21.88,-7.69,;20.84,-8.92,;20.53,-8.17,)| Show InChI InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)24-18-14-8-13-9-15(18)12-21(10-13,11-14)29(26,27)23-3/h4-7,13-15,18,23H,8-12H2,1-3H3,(H,24,25)/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
| 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 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)) | BDBM50197413
(2-(3-chloro-phenoxy)-N-(5-methanesulfonyl-adamanta...)Show SMILES CC(C)(Oc1cccc(Cl)c1)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,(22.08,-16.67,;22.9,-17.98,;23.71,-19.29,;24.23,-17.2,;25.57,-17.96,;25.58,-19.5,;26.92,-20.26,;28.24,-19.48,;28.23,-17.93,;29.55,-17.15,;26.89,-17.18,;21.62,-18.83,;21.71,-20.37,;20.24,-18.14,;18.95,-19,;18.94,-20.53,;17.93,-21.81,;16.52,-21.24,;16.52,-19.64,;17.55,-18.41,;16.21,-18.9,;16.22,-20.38,;15.02,-21.66,;17.54,-20.87,;14.72,-19.97,;13.23,-19.56,;15.13,-18.49,;14.31,-21.45,)| Show InChI InChI=1S/C21H28ClNO4S/c1-20(2,27-17-6-4-5-16(22)9-17)19(24)23-18-14-7-13-8-15(18)12-21(10-13,11-14)28(3,25)26/h4-6,9,13-15,18H,7-8,10-12H2,1-3H3,(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
| 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 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)) | 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
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 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)) | BDBM50197419
(2-(4-chloro-phenoxy)-2-methyl-N-(5-methylsulfamoyl...)Show SMILES CNS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:7.7,9.9,26.28,wU:11.12,wD:5.4,TLB:8:9:6.7.27:28,THB:11:9:6:27.26.28,11:26:6:10.8.9,12:11:6.7.27:28,TEB:8:7:28:10.9.11,27:26:10:6.7.8,(17.16,-7.35,;17.55,-8.84,;19.05,-9.24,;19.45,-7.75,;18.64,-10.72,;20.54,-9.65,;19.35,-10.93,;20.85,-10.51,;22.25,-11.07,;23.27,-9.8,;21.87,-10.14,;23.28,-8.27,;24.56,-7.42,;25.94,-8.1,;26.03,-9.64,;27.22,-7.25,;26.41,-5.95,;28.04,-8.56,;28.55,-6.47,;29.89,-7.23,;29.9,-8.77,;31.23,-9.53,;32.56,-8.75,;33.9,-9.51,;32.55,-7.2,;31.21,-6.45,;21.88,-7.69,;20.84,-8.92,;20.53,-8.17,)| Show InChI InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)24-18-14-8-13-9-15(18)12-21(10-13,11-14)29(26,27)23-3/h4-7,13-15,18,23H,8-12H2,1-3H3,(H,24,25)/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
| 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 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)) | BDBM50202095
(CHEMBL415429 | E-(2R)-(3R-fluoro-pyrrolidin-1-yl)-...)Show SMILES C[C@@H](N1CC[C@@H](F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,TLB:11:12:20:15.16.17,10:11:20.14.15:17,THB:13:14:17:21.12.11,13:12:20.14.15:17,11:16:20:21.13.12| Show InChI InChI=1S/C17H27FN2O2/c1-10(20-3-2-14(18)9-20)16(21)19-15-12-4-11-5-13(15)8-17(22,6-11)7-12/h10-15,22H,2-9H2,1H3,(H,19,21)/t10-,11?,12?,13?,14-,15-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 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 | |
Search and Browse
