Found 254 hits with Last Name = 'yeh' and Initial = 'vs' 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)) | BDBM50193788
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193788
((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | 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 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193783
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | 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 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193800
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | 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 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193800
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193783
((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...)Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | 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 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193786
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)| Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193786
(4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)| Show InChI InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| n/a | n/a | 4 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
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PubMed
| n/a | n/a | 5 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 6 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193785
((3r,9r)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
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PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50394726
(CHEMBL2165819)Show SMILES Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)| Show InChI InChI=1S/C20H22N4O2/c21-20-17(12-22-18-9-10-23-24(18)20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-19(25)26/h5-10,12-14H,1-4,11,21H2,(H,25,26)/t13-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay |
J Med Chem 55: 1751-7 (2012)
Article DOI: 10.1021/jm201524g
BindingDB Entry DOI: 10.7270/Q2862HJ9 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50394726
(CHEMBL2165819)Show SMILES Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)| Show InChI InChI=1S/C20H22N4O2/c21-20-17(12-22-18-9-10-23-24(18)20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-19(25)26/h5-10,12-14H,1-4,11,21H2,(H,25,26)/t13-,14- | PDB
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antibodypedia
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CHEMBL
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PC cid
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged human recombinant DGAT1 expressed in insect cell membrane using [1-14C]decanoyl-CoA substrate by phospholipid fl... |
J Med Chem 55: 1751-7 (2012)
Article DOI: 10.1021/jm201524g
BindingDB Entry DOI: 10.7270/Q2862HJ9 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192679
((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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 HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193795
(34-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethy...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C1=O)C12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C22H28N4O3/c1-20(2)16(14-29-17-4-3-15(11-23)12-25-17)13-26(19(20)28)22-8-5-21(6-9-22,7-10-22)18(24)27/h3-4,12,16H,5-10,13-14H2,1-2H3,(H2,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193798
(6-((1-cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nic...)Show InChI InChI=1S/C18H23N3O2/c19-10-14-7-8-17(20-11-14)23-13-15-9-18(22)21(12-15)16-5-3-1-2-4-6-16/h7-8,11,15-16H,1-6,9,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192792
(CHEMBL219348 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)| Show InChI InChI=1S/C24H31N5O3/c1-23(2,32-20-5-4-18(14-26-20)29-7-3-6-27-29)22(31)28-21-16-8-15-9-17(21)12-24(10-15,11-16)13-19(25)30/h3-7,14-17,21H,8-13H2,1-2H3,(H2,25,30)(H,28,31)/t15-,16-,17?,21+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192797
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidaz...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)| Show InChI InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193787
(4-[3,3-dmethyl-2-oxo-4-(5-trifluoromethyl-pyridin-...)Show SMILES CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(=N)NO)C1=O |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,(24.81,-1.12,;23.49,-.36,;23.94,1.11,;23.01,-1.82,;23.91,-3.07,;25.46,-3.04,;26.25,-4.36,;25.51,-5.7,;26.31,-7.02,;27.85,-6.99,;28.59,-5.63,;27.79,-4.31,;28.6,-8.31,;29.36,-9.64,;27.27,-9.07,;29.93,-7.54,;21.46,-1.82,;20.99,-.36,;19.53,.11,;18.21,-.47,;16.68,.12,;16.63,1.65,;18.07,2.18,;19.53,1.65,;18.54,2.83,;17.1,2.24,;15.69,2.87,;17.23,.7,;17.09,3.78,;15.76,4.55,;18.42,4.57,;18.41,6.1,;22.24,.55,;22.24,2.09,)| Show InChI InChI=1S/C24H31F3N4O3/c1-22(2)17(12-34-18-4-3-16(10-29-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)30-33/h3-4,10,13-15,17,19,33H,5-9,11-12H2,1-2H3,(H2,28,30)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192798
(CHEMBL219349 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)| Show InChI InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,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
| n/a | n/a | 14 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193795
(34-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethy...)Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C1=O)C12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C22H28N4O3/c1-20(2)16(14-29-17-4-3-15(11-23)12-25-17)13-26(19(20)28)22-8-5-21(6-9-22,7-10-22)18(24)27/h3-4,12,16H,5-10,13-14H2,1-2H3,(H2,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192791
(2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-car...)Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)| Show InChI InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193787
(4-[3,3-dmethyl-2-oxo-4-(5-trifluoromethyl-pyridin-...)Show SMILES CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(=N)NO)C1=O |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,(24.81,-1.12,;23.49,-.36,;23.94,1.11,;23.01,-1.82,;23.91,-3.07,;25.46,-3.04,;26.25,-4.36,;25.51,-5.7,;26.31,-7.02,;27.85,-6.99,;28.59,-5.63,;27.79,-4.31,;28.6,-8.31,;29.36,-9.64,;27.27,-9.07,;29.93,-7.54,;21.46,-1.82,;20.99,-.36,;19.53,.11,;18.21,-.47,;16.68,.12,;16.63,1.65,;18.07,2.18,;19.53,1.65,;18.54,2.83,;17.1,2.24,;15.69,2.87,;17.23,.7,;17.09,3.78,;15.76,4.55,;18.42,4.57,;18.41,6.1,;22.24,.55,;22.24,2.09,)| Show InChI InChI=1S/C24H31F3N4O3/c1-22(2)17(12-34-18-4-3-16(10-29-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)30-33/h3-4,10,13-15,17,19,33H,5-9,11-12H2,1-2H3,(H2,28,30)/t13?,14?,15?,17?,19-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50193790
(6-((1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-y...)Show InChI InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192674
(4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192673
(2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192677
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192675
((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192790
(2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,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,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | 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 Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50193784
(4-[4-(4-imidazol-1-yl-phenoxymethyl)-3,3-dimethyl-...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(8.91,-1.06,;7.59,-.29,;8.04,1.18,;7.11,-1.75,;8.02,-3,;9.56,-2.97,;10.36,-4.29,;9.61,-5.63,;10.41,-6.95,;11.95,-6.92,;12.7,-5.56,;11.89,-4.25,;12.74,-8.23,;12.15,-9.65,;13.31,-10.65,;14.63,-9.85,;14.27,-8.36,;5.56,-1.75,;5.09,-.29,;3.63,.18,;2.31,-.4,;.78,.19,;.72,1.72,;2.17,2.25,;3.63,1.72,;2.64,2.9,;1.2,2.31,;-.22,2.94,;1.32,.78,;1.19,3.86,;-.15,4.62,;2.52,4.64,;6.34,.62,;6.34,2.16,)| Show InChI InChI=1S/C27H34N4O3/c1-26(2)20(15-34-22-5-3-21(4-6-22)30-8-7-29-16-30)14-31(25(26)33)23-18-9-17-10-19(23)13-27(11-17,12-18)24(28)32/h3-8,16-20,23H,9-15H2,1-2H3,(H2,28,32)/t17?,18?,19?,20?,23-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192684
((3s,9s)-9-(2-(5-cyanopyridin-2-yloxy)-2-methylprop...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)| Show InChI InChI=1S/C20H26N4O3/c1-20(2,27-16-7-6-12(10-21)11-23-16)19(26)24-17-13-4-3-5-14(17)9-15(8-13)18(22)25/h6-7,11,13-15,17H,3-5,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t13?,14?,15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192686
(4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192785
(CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| Show InChI InChI=1S/C22H28N4O3/c1-21(2,29-18-4-3-13(11-23)12-25-18)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-17(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,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
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192795
(CHEMBL219081 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-...)Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)| Show InChI InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,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
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50192800
(2-(4-chloro-phenoxy)-N-((1R,2S,5S,7S)-5-isoxazol-5...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)| Show InChI InChI=1S/C23H27ClN2O3/c1-22(2,28-18-5-3-17(24)4-6-18)21(27)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-29-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,26,27)/t14-,15-,16?,20+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5414-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.055
BindingDB Entry DOI: 10.7270/Q28S4PJ0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50193789
(4-[3,3-dimethyl-2-oxo-4-(4-[1,2,4]triazol-1-yl-phe...)Show SMILES CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)| Show InChI InChI=1S/C26H33N5O3/c1-25(2)19(13-34-21-5-3-20(4-6-21)31-15-28-14-29-31)12-30(24(25)33)22-17-7-16-8-18(22)11-26(9-16,10-17)23(27)32/h3-6,14-19,22H,7-13H2,1-2H3,(H2,27,32)/t16?,17?,18?,19?,22-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5555-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50192685
((3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)| Show InChI InChI=1S/C20H26ClNO4/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)22-17-12-4-3-5-13(17)11-14(10-12)18(23)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t12?,13?,14-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 16: 5408-13 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS |
More data for this
Ligand-Target Pair | |
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