Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50042738 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430145
(CHEMBL2338266)Show SMILES CC1(C)CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(30.58,-17.72,;30.19,-19.21,;31.67,-18.81,;31.12,-20.44,;30.75,-21.94,;31.93,-22.93,;33.32,-22.33,;34.37,-23.56,;34.38,-25.15,;32.98,-25.72,;31.95,-24.46,;33.35,-24.79,;34.68,-24.29,;36.21,-24.27,;35.89,-25.55,;34.67,-22.8,;29.35,-22.57,;29.31,-24.11,;27.97,-21.87,;26.63,-22.62,;25.49,-21.59,;26.13,-20.18,;27.67,-20.35,;28.66,-19.17,;25.37,-18.85,;26.16,-17.52,;25.4,-16.18,;23.86,-16.16,;23.08,-17.5,;23.84,-18.84,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)13-21-20(14-26-28(21)19-6-4-3-5-7-19)23(29)27(15-24)22-17-8-16-9-18(22)12-25(30,10-16)11-17/h3-7,14,16-18,22,30H,8-13,15H2,1-2H3/t16?,17?,18?,22-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430135
(CHEMBL2338251)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(F)cc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(10.24,-45.05,;10.87,-46.46,;11.26,-44.96,;12.4,-46.5,;13.34,-47.73,;12.96,-49.22,;14.14,-50.21,;15.53,-49.62,;16.58,-50.84,;16.59,-52.43,;15.19,-53,;14.17,-51.74,;15.57,-52.07,;16.89,-51.57,;18.42,-51.55,;18.1,-52.83,;16.88,-50.08,;11.56,-49.85,;11.52,-51.39,;10.19,-49.15,;8.84,-49.91,;7.71,-48.87,;8.35,-47.46,;9.88,-47.64,;7.59,-46.13,;8.37,-44.8,;7.61,-43.46,;6.07,-43.45,;5.31,-42.11,;5.29,-44.79,;6.05,-46.12,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430139
(CHEMBL2338247)Show SMILES Cc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(7.11,-16.96,;7.87,-18.3,;9.41,-18.31,;10.17,-19.65,;9.38,-20.98,;7.85,-20.97,;7.09,-19.63,;10.14,-22.31,;9.5,-23.71,;10.64,-24.75,;11.98,-24,;11.68,-22.48,;12.67,-21.3,;12.03,-19.9,;13.06,-19.8,;14.2,-21.34,;15.13,-22.57,;14.76,-24.06,;15.94,-25.05,;17.33,-24.46,;18.38,-25.69,;18.39,-27.27,;16.99,-27.85,;15.96,-26.58,;17.36,-26.92,;18.68,-26.41,;20.22,-26.39,;19.89,-27.68,;18.68,-24.93,;13.36,-24.69,;13.32,-26.23,)| Show InChI InChI=1S/C26H33N3O2/c1-16-4-6-20(7-5-16)29-23-21(15-27-29)24(30)28(9-8-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-7,15,17-19,22,31H,8-14H2,1-3H3/t17?,18?,19?,22-,26+ | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430136
(CHEMBL2338250)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(F)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(30.53,-32.58,;31.16,-33.98,;31.55,-32.48,;32.69,-34.02,;33.63,-35.25,;33.26,-36.74,;34.43,-37.73,;35.83,-37.14,;36.88,-38.37,;36.88,-39.95,;35.48,-40.53,;34.46,-39.26,;35.86,-39.59,;37.18,-39.09,;38.71,-39.07,;38.39,-40.36,;37.18,-37.61,;31.85,-37.37,;31.82,-38.91,;30.48,-36.68,;29.13,-37.43,;28,-36.39,;28.64,-34.99,;30.17,-35.16,;27.88,-33.65,;28.66,-32.33,;27.91,-30.99,;26.37,-30.97,;25.58,-32.31,;24.04,-32.3,;26.35,-33.64,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430140
(CHEMBL2338246)Show SMILES Cc1cccc(c1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(23.2,-5.1,;24.74,-5.11,;25.52,-3.77,;27.06,-3.79,;27.82,-5.13,;27.03,-6.45,;25.5,-6.45,;27.79,-7.79,;27.15,-9.19,;28.28,-10.23,;29.63,-9.48,;29.32,-7.96,;30.31,-6.78,;29.68,-5.38,;30.71,-5.28,;31.85,-6.82,;32.78,-8.05,;32.41,-9.54,;33.59,-10.53,;34.98,-9.94,;36.03,-11.17,;36.04,-12.75,;34.64,-13.33,;33.61,-12.06,;35.01,-12.4,;36.33,-11.89,;37.87,-11.87,;37.54,-13.16,;36.33,-10.41,;31.01,-10.17,;30.97,-11.71,)| Show InChI InChI=1S/C26H33N3O2/c1-16-5-4-6-20(9-16)29-23-21(15-27-29)24(30)28(8-7-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-6,9,15,17-19,22,31H,7-8,10-14H2,1-3H3/t17?,18?,19?,22-,26+ | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430132
(CHEMBL2338254)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(c1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(12.82,-7.27,;13.45,-8.67,;13.84,-7.17,;14.98,-8.71,;15.92,-9.94,;15.55,-11.43,;16.72,-12.42,;18.11,-11.83,;19.16,-13.06,;19.17,-14.64,;17.77,-15.22,;16.75,-13.95,;18.15,-14.29,;19.47,-13.78,;21,-13.76,;20.68,-15.05,;19.47,-12.3,;14.14,-12.06,;14.11,-13.6,;12.77,-11.37,;11.42,-12.12,;10.29,-11.08,;10.93,-9.68,;12.46,-9.85,;10.17,-8.34,;10.95,-7.02,;10.2,-5.68,;8.65,-5.66,;7.87,-7,;8.64,-8.34,;6.33,-6.99,;5.57,-5.66,;5.56,-8.32,;4.79,-6.98,)| Show InChI InChI=1S/C26H30F3N3O2/c1-24(2)6-7-31(21-16-8-15-9-17(21)13-25(34,11-15)12-16)23(33)20-14-30-32(22(20)24)19-5-3-4-18(10-19)26(27,28)29/h3-5,10,14-17,21,34H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430141
(CHEMBL2338245)Show SMILES Cc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(6.79,-8.68,;7.57,-7.35,;6.81,-6.01,;7.59,-4.68,;9.13,-4.69,;9.89,-6.03,;9.11,-7.36,;9.86,-8.69,;9.22,-10.1,;10.36,-11.13,;11.7,-10.38,;11.4,-8.86,;12.39,-7.68,;11.75,-6.28,;12.78,-6.18,;13.92,-7.72,;14.85,-8.95,;14.48,-10.45,;15.66,-11.44,;17.05,-10.84,;18.1,-12.07,;18.11,-13.65,;16.71,-14.23,;15.68,-12.96,;17.08,-13.3,;18.41,-12.8,;19.94,-12.78,;19.61,-14.06,;18.4,-11.31,;13.08,-11.08,;13.04,-12.62,)| Show InChI InChI=1S/C26H33N3O2/c1-16-6-4-5-7-21(16)29-23-20(15-27-29)24(30)28(9-8-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-7,15,17-19,22,31H,8-14H2,1-3H3/t17?,18?,19?,22-,26+ | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430147
(CHEMBL2338264)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(29.24,-4.12,;29.87,-5.53,;30.63,-4.18,;31.41,-5.57,;32.34,-6.8,;31.97,-8.29,;33.15,-9.28,;34.54,-8.69,;35.59,-9.91,;35.6,-11.5,;34.2,-12.08,;33.17,-10.81,;34.57,-11.14,;35.89,-10.64,;37.43,-10.62,;37.1,-11.9,;35.89,-9.15,;30.57,-8.92,;30.53,-10.46,;29.19,-8.22,;27.85,-8.98,;26.71,-7.94,;27.35,-6.53,;28.89,-6.71,;26.59,-5.2,;27.38,-3.87,;26.62,-2.54,;25.08,-2.52,;24.3,-3.86,;25.06,-5.19,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h3-7,15-18,21,30H,8-14H2,1-2H3/t16?,17?,18?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430147
(CHEMBL2338264)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(29.24,-4.12,;29.87,-5.53,;30.63,-4.18,;31.41,-5.57,;32.34,-6.8,;31.97,-8.29,;33.15,-9.28,;34.54,-8.69,;35.59,-9.91,;35.6,-11.5,;34.2,-12.08,;33.17,-10.81,;34.57,-11.14,;35.89,-10.64,;37.43,-10.62,;37.1,-11.9,;35.89,-9.15,;30.57,-8.92,;30.53,-10.46,;29.19,-8.22,;27.85,-8.98,;26.71,-7.94,;27.35,-6.53,;28.89,-6.71,;26.59,-5.2,;27.38,-3.87,;26.62,-2.54,;25.08,-2.52,;24.3,-3.86,;25.06,-5.19,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h3-7,15-18,21,30H,8-14H2,1-2H3/t16?,17?,18?,21-,25+ | 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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430134
(CHEMBL2338252)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(Cl)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(25.72,-45.66,;26.36,-47.06,;26.75,-45.56,;27.89,-47.1,;28.82,-48.33,;28.45,-49.82,;29.63,-50.81,;31.02,-50.22,;32.07,-51.45,;32.08,-53.03,;30.68,-53.61,;29.65,-52.34,;31.05,-52.68,;32.37,-52.18,;33.91,-52.15,;33.58,-53.44,;32.37,-50.69,;27.05,-50.45,;27.01,-51.99,;25.67,-49.76,;24.33,-50.51,;23.19,-49.47,;23.83,-48.07,;25.37,-48.24,;23.07,-46.74,;23.86,-45.41,;23.1,-44.07,;21.56,-44.06,;20.78,-45.39,;19.24,-45.39,;21.54,-46.73,)| Show InChI InChI=1S/C25H30ClN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430142
(CHEMBL2338244)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccn1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(8.51,-43.7,;8.91,-45.2,;9.67,-43.86,;10.44,-45.24,;11.38,-46.47,;11.01,-47.96,;12.18,-48.95,;13.57,-48.36,;14.62,-49.58,;14.63,-51.16,;13.23,-51.74,;12.21,-50.47,;13.6,-50.81,;14.93,-50.31,;16.46,-50.29,;16.13,-51.57,;14.92,-48.82,;9.6,-48.59,;9.57,-50.13,;8.23,-47.89,;6.89,-48.65,;5.76,-47.61,;6.39,-46.2,;7.93,-46.38,;5.64,-44.88,;6.42,-43.55,;5.66,-42.21,;4.12,-42.2,;3.34,-43.53,;4.11,-44.87,)| Show InChI InChI=1S/C24H30N4O2/c1-23(2)6-8-27(20-16-9-15-10-17(20)13-24(30,11-15)12-16)22(29)18-14-26-28(21(18)23)19-5-3-4-7-25-19/h3-5,7,14-17,20,30H,6,8-13H2,1-2H3/t15?,16?,17?,20-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430137
(CHEMBL2338249)Show SMILES COc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(8.21,-30.35,;7.44,-31.68,;8.2,-33.02,;9.74,-33.03,;10.5,-34.37,;9.71,-35.7,;8.18,-35.69,;7.42,-34.36,;10.47,-37.03,;9.83,-38.44,;10.96,-39.48,;12.31,-38.72,;12,-37.21,;12.99,-36.03,;12.36,-34.62,;13.39,-34.53,;14.53,-36.07,;15.46,-37.3,;15.09,-38.79,;16.27,-39.78,;17.66,-39.19,;18.71,-40.41,;18.72,-42,;17.32,-42.57,;16.29,-41.31,;17.69,-41.64,;19.01,-41.14,;20.55,-41.12,;20.22,-42.4,;19.01,-39.65,;13.68,-39.42,;13.65,-40.96,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)21-15-27-29(23(21)25)19-4-6-20(32-3)7-5-19/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430138
(CHEMBL2338248)Show SMILES COc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(23.46,-21.38,;25,-21.39,;25.78,-20.06,;25.01,-18.73,;25.79,-17.39,;27.34,-17.4,;28.09,-18.74,;27.31,-20.07,;28.07,-21.4,;27.43,-22.81,;28.56,-23.85,;29.91,-23.09,;29.6,-21.58,;30.59,-20.4,;29.96,-18.99,;30.98,-18.9,;32.12,-20.44,;33.06,-21.67,;32.68,-23.16,;33.86,-24.15,;35.25,-23.56,;36.3,-24.78,;36.31,-26.37,;34.91,-26.94,;33.89,-25.68,;35.29,-26.01,;36.61,-25.51,;38.14,-25.49,;37.82,-26.77,;36.6,-24.02,;31.28,-23.79,;31.25,-25.33,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)19-15-27-29(23(19)25)20-6-4-5-7-21(20)32-3/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430148
(CHEMBL2338263)Show SMILES CC1CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(9.34,-4.09,;9.97,-5.5,;11.51,-5.54,;12.44,-6.77,;12.07,-8.26,;13.25,-9.25,;14.64,-8.66,;15.69,-9.88,;15.7,-11.47,;14.3,-12.05,;13.27,-10.78,;14.67,-11.11,;15.99,-10.61,;17.53,-10.59,;17.2,-11.87,;15.99,-9.12,;10.67,-8.89,;10.63,-10.43,;9.29,-8.19,;7.95,-8.95,;6.81,-7.91,;7.45,-6.5,;8.99,-6.68,;6.69,-5.17,;7.48,-3.84,;6.72,-2.5,;5.18,-2.49,;4.4,-3.83,;5.16,-5.16,)| Show InChI InChI=1S/C24H29N3O2/c1-15-7-8-26(22-17-9-16-10-18(22)13-24(29,11-16)12-17)23(28)20-14-25-27(21(15)20)19-5-3-2-4-6-19/h2-6,14-18,22,29H,7-13H2,1H3/t15?,16?,17?,18?,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430148
(CHEMBL2338263)Show SMILES CC1CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(9.34,-4.09,;9.97,-5.5,;11.51,-5.54,;12.44,-6.77,;12.07,-8.26,;13.25,-9.25,;14.64,-8.66,;15.69,-9.88,;15.7,-11.47,;14.3,-12.05,;13.27,-10.78,;14.67,-11.11,;15.99,-10.61,;17.53,-10.59,;17.2,-11.87,;15.99,-9.12,;10.67,-8.89,;10.63,-10.43,;9.29,-8.19,;7.95,-8.95,;6.81,-7.91,;7.45,-6.5,;8.99,-6.68,;6.69,-5.17,;7.48,-3.84,;6.72,-2.5,;5.18,-2.49,;4.4,-3.83,;5.16,-5.16,)| Show InChI InChI=1S/C24H29N3O2/c1-15-7-8-26(22-17-9-16-10-18(22)13-24(29,11-16)12-17)23(28)20-14-25-27(21(15)20)19-5-3-2-4-6-19/h2-6,14-18,22,29H,7-13H2,1H3/t15?,16?,17?,18?,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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430140
(CHEMBL2338246)Show SMILES Cc1cccc(c1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(23.2,-5.1,;24.74,-5.11,;25.52,-3.77,;27.06,-3.79,;27.82,-5.13,;27.03,-6.45,;25.5,-6.45,;27.79,-7.79,;27.15,-9.19,;28.28,-10.23,;29.63,-9.48,;29.32,-7.96,;30.31,-6.78,;29.68,-5.38,;30.71,-5.28,;31.85,-6.82,;32.78,-8.05,;32.41,-9.54,;33.59,-10.53,;34.98,-9.94,;36.03,-11.17,;36.04,-12.75,;34.64,-13.33,;33.61,-12.06,;35.01,-12.4,;36.33,-11.89,;37.87,-11.87,;37.54,-13.16,;36.33,-10.41,;31.01,-10.17,;30.97,-11.71,)| Show InChI InChI=1S/C26H33N3O2/c1-16-5-4-6-20(9-16)29-23-21(15-27-29)24(30)28(8-7-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-6,9,15,17-19,22,31H,7-8,10-14H2,1-3H3/t17?,18?,19?,22-,26+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430134
(CHEMBL2338252)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(Cl)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(25.72,-45.66,;26.36,-47.06,;26.75,-45.56,;27.89,-47.1,;28.82,-48.33,;28.45,-49.82,;29.63,-50.81,;31.02,-50.22,;32.07,-51.45,;32.08,-53.03,;30.68,-53.61,;29.65,-52.34,;31.05,-52.68,;32.37,-52.18,;33.91,-52.15,;33.58,-53.44,;32.37,-50.69,;27.05,-50.45,;27.01,-51.99,;25.67,-49.76,;24.33,-50.51,;23.19,-49.47,;23.83,-48.07,;25.37,-48.24,;23.07,-46.74,;23.86,-45.41,;23.1,-44.07,;21.56,-44.06,;20.78,-45.39,;19.24,-45.39,;21.54,-46.73,)| Show InChI InChI=1S/C25H30ClN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430138
(CHEMBL2338248)Show SMILES COc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(23.46,-21.38,;25,-21.39,;25.78,-20.06,;25.01,-18.73,;25.79,-17.39,;27.34,-17.4,;28.09,-18.74,;27.31,-20.07,;28.07,-21.4,;27.43,-22.81,;28.56,-23.85,;29.91,-23.09,;29.6,-21.58,;30.59,-20.4,;29.96,-18.99,;30.98,-18.9,;32.12,-20.44,;33.06,-21.67,;32.68,-23.16,;33.86,-24.15,;35.25,-23.56,;36.3,-24.78,;36.31,-26.37,;34.91,-26.94,;33.89,-25.68,;35.29,-26.01,;36.61,-25.51,;38.14,-25.49,;37.82,-26.77,;36.6,-24.02,;31.28,-23.79,;31.25,-25.33,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)19-15-27-29(23(19)25)20-6-4-5-7-21(20)32-3/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+ | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430131
(CHEMBL2338255)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(cc1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(34.61,-12.4,;35.25,-13.8,;35.64,-12.3,;36.78,-13.85,;37.71,-15.07,;37.34,-16.57,;38.52,-17.56,;39.91,-16.97,;40.96,-18.19,;40.97,-19.78,;39.57,-20.35,;38.54,-19.08,;39.94,-19.42,;41.26,-18.92,;42.8,-18.9,;42.47,-20.18,;41.26,-17.43,;35.94,-17.2,;35.9,-18.74,;34.56,-16.5,;33.22,-17.26,;32.08,-16.22,;32.72,-14.81,;34.26,-14.99,;31.96,-13.48,;32.75,-12.15,;31.99,-10.81,;30.45,-10.8,;29.67,-12.14,;30.43,-13.47,;29.69,-9.46,;30.47,-8.13,;28.15,-9.45,;28.9,-8.12,)| Show InChI InChI=1S/C26H30F3N3O2/c1-24(2)7-8-31(21-16-9-15-10-17(21)13-25(34,11-15)12-16)23(33)20-14-30-32(22(20)24)19-5-3-18(4-6-19)26(27,28)29/h3-6,14-17,21,34H,7-13H2,1-2H3/t15?,16?,17?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430151
(CHEMBL2338259)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2C2CCCCC2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(38.01,-19.48,;36.48,-19.5,;37.69,-20.76,;36.18,-20.36,;36.17,-18.77,;35.12,-17.54,;36.47,-18.01,;33.73,-18.13,;33.76,-19.66,;34.78,-20.93,;35.15,-20,;32.55,-17.14,;32.92,-15.65,;31.99,-14.42,;30.46,-14.38,;29.47,-15.56,;29.77,-17.08,;28.43,-17.83,;27.29,-16.79,;27.93,-15.39,;27.17,-14.05,;27.96,-12.73,;27.2,-11.39,;25.66,-11.37,;24.88,-12.7,;25.63,-14.04,;31.15,-17.77,;31.11,-19.32,)| Show InChI InChI=1S/C23H33N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h14-18,21,28H,1-13H2/t15?,16?,17?,21-,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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430143
(CHEMBL2338243)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c12 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(28.89,-30.97,;29.99,-32.07,;29.98,-30.52,;31.53,-32.12,;32.46,-33.35,;32.09,-34.84,;33.27,-35.83,;34.66,-35.24,;35.72,-36.47,;35.73,-38.06,;34.32,-38.64,;33.29,-37.37,;34.7,-37.7,;36.02,-37.2,;37.56,-37.18,;37.23,-38.47,;36.02,-35.71,;30.68,-35.47,;30.65,-37.02,;29.31,-34.78,;27.96,-35.53,;26.82,-34.49,;27.46,-33.08,;26.7,-31.75,;27.48,-30.43,;26.73,-29.1,;25.19,-29.09,;24.41,-30.41,;25.17,-31.75,;29,-33.26,)| Show InChI InChI=1S/C25H37N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h15-19,21,30H,3-14H2,1-2H3/t16?,17?,18?,21-,25+ | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430146
(CHEMBL2338265)Show SMILES CC1CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1 |r,wU:4.3,11.12,TLB:8:7:14:10.9.4,8:9:13.7.6:14,4:5:13:10.8.9,THB:4:9:13:6.5.14,3:4:13.7.6:14,(10.99,-18.22,;10.29,-19.59,;11.22,-20.82,;10.85,-22.32,;12.03,-23.31,;13.42,-22.71,;14.47,-23.94,;14.48,-25.52,;13.08,-26.1,;12.05,-24.83,;13.45,-25.17,;14.77,-24.67,;16.31,-24.65,;15.98,-25.93,;14.77,-23.18,;9.45,-22.95,;9.41,-24.49,;8.07,-22.25,;6.73,-23,;5.59,-21.97,;6.23,-20.56,;7.77,-20.73,;8.75,-19.55,;5.47,-19.23,;6.26,-17.9,;5.5,-16.56,;3.96,-16.55,;3.18,-17.88,;3.94,-19.22,)| Show InChI InChI=1S/C24H29N3O2/c1-15-7-21-20(13-25-27(21)19-5-3-2-4-6-19)23(28)26(14-15)22-17-8-16-9-18(22)12-24(29,10-16)11-17/h2-6,13,15-18,22,29H,7-12,14H2,1H3/t15?,16?,17?,18?,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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430132
(CHEMBL2338254)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(c1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(12.82,-7.27,;13.45,-8.67,;13.84,-7.17,;14.98,-8.71,;15.92,-9.94,;15.55,-11.43,;16.72,-12.42,;18.11,-11.83,;19.16,-13.06,;19.17,-14.64,;17.77,-15.22,;16.75,-13.95,;18.15,-14.29,;19.47,-13.78,;21,-13.76,;20.68,-15.05,;19.47,-12.3,;14.14,-12.06,;14.11,-13.6,;12.77,-11.37,;11.42,-12.12,;10.29,-11.08,;10.93,-9.68,;12.46,-9.85,;10.17,-8.34,;10.95,-7.02,;10.2,-5.68,;8.65,-5.66,;7.87,-7,;8.64,-8.34,;6.33,-6.99,;5.57,-5.66,;5.56,-8.32,;4.79,-6.98,)| Show InChI InChI=1S/C26H30F3N3O2/c1-24(2)6-7-31(21-16-8-15-9-17(21)13-25(34,11-15)12-16)23(33)20-14-30-32(22(20)24)19-5-3-4-18(10-19)26(27,28)29/h3-5,10,14-17,21,34H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430150
(CHEMBL2338261)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2-c2ccccc2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(30.86,-31.1,;29.32,-31.12,;30.53,-32.38,;29.03,-31.98,;29.02,-30.39,;27.97,-29.16,;29.32,-29.63,;26.57,-29.76,;26.6,-31.29,;27.62,-32.55,;28,-31.62,;25.4,-28.77,;25.77,-27.27,;24.83,-26.04,;23.3,-26,;22.31,-27.18,;22.62,-28.7,;21.27,-29.45,;20.14,-28.42,;20.78,-27.01,;20.02,-25.68,;20.8,-24.35,;20.04,-23.01,;18.5,-23,;17.72,-24.33,;18.48,-25.67,;23.99,-29.4,;23.96,-30.94,)| Show InChI InChI=1S/C23H27N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h1-3,5-6,14-17,21,28H,4,7-13H2/t15?,16?,17?,21-,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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430136
(CHEMBL2338250)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(F)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(30.53,-32.58,;31.16,-33.98,;31.55,-32.48,;32.69,-34.02,;33.63,-35.25,;33.26,-36.74,;34.43,-37.73,;35.83,-37.14,;36.88,-38.37,;36.88,-39.95,;35.48,-40.53,;34.46,-39.26,;35.86,-39.59,;37.18,-39.09,;38.71,-39.07,;38.39,-40.36,;37.18,-37.61,;31.85,-37.37,;31.82,-38.91,;30.48,-36.68,;29.13,-37.43,;28,-36.39,;28.64,-34.99,;30.17,-35.16,;27.88,-33.65,;28.66,-32.33,;27.91,-30.99,;26.37,-30.97,;25.58,-32.31,;24.04,-32.3,;26.35,-33.64,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430144
(CHEMBL2338242)Show SMILES Cn1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:12.12,19.21,TLB:16:15:22:18.17.12,16:17:21.15.14:22,12:13:21:18.16.17,THB:12:17:21:14.13.22,11:12:21.15.14:22,(8.15,-31.75,;8.91,-33.08,;8.27,-34.48,;9.4,-35.52,;10.75,-34.76,;10.44,-33.25,;11.43,-32.07,;10.09,-31.3,;11.42,-30.53,;12.96,-32.11,;13.89,-33.34,;13.52,-34.83,;14.7,-35.82,;16.09,-35.23,;17.14,-36.45,;17.15,-38.03,;15.75,-38.61,;14.72,-37.35,;16.12,-37.68,;17.44,-37.18,;18.97,-37.16,;18.65,-38.44,;17.44,-35.69,;12.12,-35.46,;12.08,-37,)| Show InChI InChI=1S/C20H29N3O2/c1-19(2)4-5-23(18(24)15-11-21-22(3)17(15)19)16-13-6-12-7-14(16)10-20(25,8-12)9-13/h11-14,16,25H,4-10H2,1-3H3/t12?,13?,14?,16-,20+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430131
(CHEMBL2338255)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(cc1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(34.61,-12.4,;35.25,-13.8,;35.64,-12.3,;36.78,-13.85,;37.71,-15.07,;37.34,-16.57,;38.52,-17.56,;39.91,-16.97,;40.96,-18.19,;40.97,-19.78,;39.57,-20.35,;38.54,-19.08,;39.94,-19.42,;41.26,-18.92,;42.8,-18.9,;42.47,-20.18,;41.26,-17.43,;35.94,-17.2,;35.9,-18.74,;34.56,-16.5,;33.22,-17.26,;32.08,-16.22,;32.72,-14.81,;34.26,-14.99,;31.96,-13.48,;32.75,-12.15,;31.99,-10.81,;30.45,-10.8,;29.67,-12.14,;30.43,-13.47,;29.69,-9.46,;30.47,-8.13,;28.15,-9.45,;28.9,-8.12,)| Show InChI InChI=1S/C26H30F3N3O2/c1-24(2)7-8-31(21-16-9-15-10-17(21)13-25(34,11-15)12-16)23(33)20-14-30-32(22(20)24)19-5-3-18(4-6-19)26(27,28)29/h3-6,14-17,21,34H,7-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430139
(CHEMBL2338247)Show SMILES Cc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(7.11,-16.96,;7.87,-18.3,;9.41,-18.31,;10.17,-19.65,;9.38,-20.98,;7.85,-20.97,;7.09,-19.63,;10.14,-22.31,;9.5,-23.71,;10.64,-24.75,;11.98,-24,;11.68,-22.48,;12.67,-21.3,;12.03,-19.9,;13.06,-19.8,;14.2,-21.34,;15.13,-22.57,;14.76,-24.06,;15.94,-25.05,;17.33,-24.46,;18.38,-25.69,;18.39,-27.27,;16.99,-27.85,;15.96,-26.58,;17.36,-26.92,;18.68,-26.41,;20.22,-26.39,;19.89,-27.68,;18.68,-24.93,;13.36,-24.69,;13.32,-26.23,)| Show InChI InChI=1S/C26H33N3O2/c1-16-4-6-20(7-5-16)29-23-21(15-27-29)24(30)28(9-8-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-7,15,17-19,22,31H,8-14H2,1-3H3/t17?,18?,19?,22-,26+ | 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 |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430135
(CHEMBL2338251)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(F)cc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(10.24,-45.05,;10.87,-46.46,;11.26,-44.96,;12.4,-46.5,;13.34,-47.73,;12.96,-49.22,;14.14,-50.21,;15.53,-49.62,;16.58,-50.84,;16.59,-52.43,;15.19,-53,;14.17,-51.74,;15.57,-52.07,;16.89,-51.57,;18.42,-51.55,;18.1,-52.83,;16.88,-50.08,;11.56,-49.85,;11.52,-51.39,;10.19,-49.15,;8.84,-49.91,;7.71,-48.87,;8.35,-47.46,;9.88,-47.64,;7.59,-46.13,;8.37,-44.8,;7.61,-43.46,;6.07,-43.45,;5.31,-42.11,;5.29,-44.79,;6.05,-46.12,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430133
(CHEMBL2338253)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(Cl)cc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(41.36,-45.83,;41.99,-47.23,;42.38,-45.73,;43.52,-47.28,;44.46,-48.5,;44.08,-50,;45.26,-50.99,;46.65,-50.39,;47.7,-51.62,;47.71,-53.2,;46.31,-53.78,;45.29,-52.51,;46.68,-52.85,;48.01,-52.35,;49.54,-52.33,;49.22,-53.61,;48,-50.86,;42.68,-50.63,;42.64,-52.17,;41.31,-49.93,;39.96,-50.68,;38.83,-49.65,;39.47,-48.24,;41,-48.41,;38.71,-46.91,;39.49,-45.58,;38.73,-44.24,;37.19,-44.23,;36.43,-42.89,;36.41,-45.56,;37.17,-46.9,)| Show InChI InChI=1S/C25H30ClN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+ | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430143
(CHEMBL2338243)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c12 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(28.89,-30.97,;29.99,-32.07,;29.98,-30.52,;31.53,-32.12,;32.46,-33.35,;32.09,-34.84,;33.27,-35.83,;34.66,-35.24,;35.72,-36.47,;35.73,-38.06,;34.32,-38.64,;33.29,-37.37,;34.7,-37.7,;36.02,-37.2,;37.56,-37.18,;37.23,-38.47,;36.02,-35.71,;30.68,-35.47,;30.65,-37.02,;29.31,-34.78,;27.96,-35.53,;26.82,-34.49,;27.46,-33.08,;26.7,-31.75,;27.48,-30.43,;26.73,-29.1,;25.19,-29.09,;24.41,-30.41,;25.17,-31.75,;29,-33.26,)| Show InChI InChI=1S/C25H37N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h15-19,21,30H,3-14H2,1-2H3/t16?,17?,18?,21-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430145
(CHEMBL2338266)Show SMILES CC1(C)CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(30.58,-17.72,;30.19,-19.21,;31.67,-18.81,;31.12,-20.44,;30.75,-21.94,;31.93,-22.93,;33.32,-22.33,;34.37,-23.56,;34.38,-25.15,;32.98,-25.72,;31.95,-24.46,;33.35,-24.79,;34.68,-24.29,;36.21,-24.27,;35.89,-25.55,;34.67,-22.8,;29.35,-22.57,;29.31,-24.11,;27.97,-21.87,;26.63,-22.62,;25.49,-21.59,;26.13,-20.18,;27.67,-20.35,;28.66,-19.17,;25.37,-18.85,;26.16,-17.52,;25.4,-16.18,;23.86,-16.16,;23.08,-17.5,;23.84,-18.84,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)13-21-20(14-26-28(21)19-6-4-3-5-7-19)23(29)27(15-24)22-17-8-16-9-18(22)12-25(30,10-16)11-17/h3-7,14,16-18,22,30H,8-13,15H2,1-2H3/t16?,17?,18?,22-,25+ | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430152
(CHEMBL2338258)Show SMILES CC(C)(C)n1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:13.13,20.22,TLB:17:16:23:19.18.13,17:18:22.16.15:23,13:14:22:19.17.18,THB:13:18:22:15.14.23,12:13:22.16.15:23,(9.27,-9.55,;8.49,-10.88,;6.95,-10.87,;7.4,-9.79,;9.25,-12.22,;8.61,-13.63,;9.74,-14.67,;11.09,-13.91,;10.78,-12.4,;11.77,-11.21,;13.3,-11.26,;14.24,-12.48,;13.87,-13.98,;15.04,-14.97,;16.44,-14.38,;17.49,-15.6,;17.49,-17.19,;16.09,-17.76,;15.07,-16.49,;16.47,-16.83,;17.79,-16.33,;19.32,-16.31,;19,-17.59,;17.79,-14.84,;12.46,-14.61,;12.43,-16.15,)| Show InChI InChI=1S/C21H31N3O2/c1-20(2,3)24-17-5-4-6-23(19(25)16(17)12-22-24)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h12-15,18,26H,4-11H2,1-3H3/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
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430151
(CHEMBL2338259)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2C2CCCCC2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(38.01,-19.48,;36.48,-19.5,;37.69,-20.76,;36.18,-20.36,;36.17,-18.77,;35.12,-17.54,;36.47,-18.01,;33.73,-18.13,;33.76,-19.66,;34.78,-20.93,;35.15,-20,;32.55,-17.14,;32.92,-15.65,;31.99,-14.42,;30.46,-14.38,;29.47,-15.56,;29.77,-17.08,;28.43,-17.83,;27.29,-16.79,;27.93,-15.39,;27.17,-14.05,;27.96,-12.73,;27.2,-11.39,;25.66,-11.37,;24.88,-12.7,;25.63,-14.04,;31.15,-17.77,;31.11,-19.32,)| Show InChI InChI=1S/C23H33N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h14-18,21,28H,1-13H2/t15?,16?,17?,21-,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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430149
(CHEMBL2338262)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2-c2ccccn2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(20.52,-45.12,;18.98,-45.14,;20.19,-46.41,;18.69,-46,;18.68,-44.42,;17.63,-43.19,;18.98,-43.66,;16.24,-43.78,;16.27,-45.31,;17.29,-46.58,;17.66,-45.65,;15.06,-42.8,;15.44,-41.31,;14.5,-40.08,;12.97,-40.04,;11.98,-41.22,;12.29,-42.73,;10.94,-43.48,;9.81,-42.45,;10.45,-41.04,;9.69,-39.71,;10.48,-38.38,;9.72,-37.05,;8.18,-37.03,;7.4,-38.37,;8.16,-39.7,;13.66,-43.43,;13.63,-44.96,)| Show InChI InChI=1S/C22H26N4O2/c27-21-17-13-24-26(19-5-1-2-6-23-19)18(17)4-3-7-25(21)20-15-8-14-9-16(20)12-22(28,10-14)11-15/h1-2,5-6,13-16,20,28H,3-4,7-12H2/t14?,15?,16?,20-,22+ | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430146
(CHEMBL2338265)Show SMILES CC1CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1 |r,wU:4.3,11.12,TLB:8:7:14:10.9.4,8:9:13.7.6:14,4:5:13:10.8.9,THB:4:9:13:6.5.14,3:4:13.7.6:14,(10.99,-18.22,;10.29,-19.59,;11.22,-20.82,;10.85,-22.32,;12.03,-23.31,;13.42,-22.71,;14.47,-23.94,;14.48,-25.52,;13.08,-26.1,;12.05,-24.83,;13.45,-25.17,;14.77,-24.67,;16.31,-24.65,;15.98,-25.93,;14.77,-23.18,;9.45,-22.95,;9.41,-24.49,;8.07,-22.25,;6.73,-23,;5.59,-21.97,;6.23,-20.56,;7.77,-20.73,;8.75,-19.55,;5.47,-19.23,;6.26,-17.9,;5.5,-16.56,;3.96,-16.55,;3.18,-17.88,;3.94,-19.22,)| Show InChI InChI=1S/C24H29N3O2/c1-15-7-21-20(13-25-27(21)19-5-3-2-4-6-19)23(28)26(14-15)22-17-8-16-9-18(22)12-24(29,10-16)11-17/h2-6,13,15-18,22,29H,7-12,14H2,1H3/t15?,16?,17?,18?,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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430155
(CHEMBL2338260)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2C2CCCCCC2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(20.98,-29.56,;19.45,-29.58,;20.66,-30.84,;19.15,-30.44,;19.14,-28.85,;18.09,-27.63,;19.44,-28.09,;16.7,-28.22,;16.73,-29.75,;17.75,-31.01,;18.13,-30.08,;15.53,-27.23,;15.9,-25.74,;14.96,-24.51,;13.43,-24.47,;12.44,-25.65,;12.75,-27.16,;11.4,-27.92,;10.27,-26.88,;10.91,-25.47,;10.15,-24.13,;8.62,-24.23,;7.58,-23.1,;7.81,-21.58,;9.15,-20.82,;10.58,-21.39,;11.03,-22.87,;14.12,-27.86,;14.09,-29.4,)| Show InChI InChI=1S/C24H35N3O2/c28-23-20-15-25-27(19-6-3-1-2-4-7-19)21(20)8-5-9-26(23)22-17-10-16-11-18(22)14-24(29,12-16)13-17/h15-19,22,29H,1-14H2/t16?,17?,18?,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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430149
(CHEMBL2338262)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2-c2ccccn2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(20.52,-45.12,;18.98,-45.14,;20.19,-46.41,;18.69,-46,;18.68,-44.42,;17.63,-43.19,;18.98,-43.66,;16.24,-43.78,;16.27,-45.31,;17.29,-46.58,;17.66,-45.65,;15.06,-42.8,;15.44,-41.31,;14.5,-40.08,;12.97,-40.04,;11.98,-41.22,;12.29,-42.73,;10.94,-43.48,;9.81,-42.45,;10.45,-41.04,;9.69,-39.71,;10.48,-38.38,;9.72,-37.05,;8.18,-37.03,;7.4,-38.37,;8.16,-39.7,;13.66,-43.43,;13.63,-44.96,)| Show InChI InChI=1S/C22H26N4O2/c27-21-17-13-24-26(19-5-1-2-6-23-19)18(17)4-3-7-25(21)20-15-8-14-9-16(20)12-22(28,10-14)11-15/h1-2,5-6,13-16,20,28H,3-4,7-12H2/t14?,15?,16?,20-,22+ | 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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430137
(CHEMBL2338249)Show SMILES COc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(8.21,-30.35,;7.44,-31.68,;8.2,-33.02,;9.74,-33.03,;10.5,-34.37,;9.71,-35.7,;8.18,-35.69,;7.42,-34.36,;10.47,-37.03,;9.83,-38.44,;10.96,-39.48,;12.31,-38.72,;12,-37.21,;12.99,-36.03,;12.36,-34.62,;13.39,-34.53,;14.53,-36.07,;15.46,-37.3,;15.09,-38.79,;16.27,-39.78,;17.66,-39.19,;18.71,-40.41,;18.72,-42,;17.32,-42.57,;16.29,-41.31,;17.69,-41.64,;19.01,-41.14,;20.55,-41.12,;20.22,-42.4,;19.01,-39.65,;13.68,-39.42,;13.65,-40.96,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)21-15-27-29(23(21)25)19-4-6-20(32-3)7-5-19/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+ | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430144
(CHEMBL2338242)Show SMILES Cn1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:12.12,19.21,TLB:16:15:22:18.17.12,16:17:21.15.14:22,12:13:21:18.16.17,THB:12:17:21:14.13.22,11:12:21.15.14:22,(8.15,-31.75,;8.91,-33.08,;8.27,-34.48,;9.4,-35.52,;10.75,-34.76,;10.44,-33.25,;11.43,-32.07,;10.09,-31.3,;11.42,-30.53,;12.96,-32.11,;13.89,-33.34,;13.52,-34.83,;14.7,-35.82,;16.09,-35.23,;17.14,-36.45,;17.15,-38.03,;15.75,-38.61,;14.72,-37.35,;16.12,-37.68,;17.44,-37.18,;18.97,-37.16,;18.65,-38.44,;17.44,-35.69,;12.12,-35.46,;12.08,-37,)| Show InChI InChI=1S/C20H29N3O2/c1-19(2)4-5-23(18(24)15-11-21-22(3)17(15)19)16-13-6-12-7-14(16)10-20(25,8-12)9-13/h11-14,16,25H,4-10H2,1-3H3/t12?,13?,14?,16-,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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430142
(CHEMBL2338244)Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccn1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(8.51,-43.7,;8.91,-45.2,;9.67,-43.86,;10.44,-45.24,;11.38,-46.47,;11.01,-47.96,;12.18,-48.95,;13.57,-48.36,;14.62,-49.58,;14.63,-51.16,;13.23,-51.74,;12.21,-50.47,;13.6,-50.81,;14.93,-50.31,;16.46,-50.29,;16.13,-51.57,;14.92,-48.82,;9.6,-48.59,;9.57,-50.13,;8.23,-47.89,;6.89,-48.65,;5.76,-47.61,;6.39,-46.2,;7.93,-46.38,;5.64,-44.88,;6.42,-43.55,;5.66,-42.21,;4.12,-42.2,;3.34,-43.53,;4.11,-44.87,)| Show InChI InChI=1S/C24H30N4O2/c1-23(2)6-8-27(20-16-9-15-10-17(20)13-24(30,11-15)12-16)22(29)18-14-26-28(21(18)23)19-5-3-4-7-25-19/h3-5,7,14-17,20,30H,6,8-13H2,1-2H3/t15?,16?,17?,20-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430152
(CHEMBL2338258)Show SMILES CC(C)(C)n1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:13.13,20.22,TLB:17:16:23:19.18.13,17:18:22.16.15:23,13:14:22:19.17.18,THB:13:18:22:15.14.23,12:13:22.16.15:23,(9.27,-9.55,;8.49,-10.88,;6.95,-10.87,;7.4,-9.79,;9.25,-12.22,;8.61,-13.63,;9.74,-14.67,;11.09,-13.91,;10.78,-12.4,;11.77,-11.21,;13.3,-11.26,;14.24,-12.48,;13.87,-13.98,;15.04,-14.97,;16.44,-14.38,;17.49,-15.6,;17.49,-17.19,;16.09,-17.76,;15.07,-16.49,;16.47,-16.83,;17.79,-16.33,;19.32,-16.31,;19,-17.59,;17.79,-14.84,;12.46,-14.61,;12.43,-16.15,)| Show InChI InChI=1S/C21H31N3O2/c1-20(2,3)24-17-5-4-6-23(19(25)16(17)12-22-24)18-14-7-13-8-15(18)11-21(26,9-13)10-14/h12-15,18,26H,4-11H2,1-3H3/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
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430153
(CHEMBL2338257)Show SMILES CCn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:11.11,18.20,TLB:15:14:21:17.16.11,15:16:20.14.13:21,11:12:20:17.15.16,THB:11:16:20:13.12.21,10:11:20.14.13:21,(27.59,-3.1,;26.81,-4.42,;27.57,-5.77,;26.93,-7.17,;28.06,-8.21,;29.41,-7.45,;29.1,-5.94,;30.09,-4.76,;31.63,-4.8,;32.56,-6.03,;32.19,-7.52,;33.37,-8.51,;34.76,-7.92,;35.81,-9.15,;35.82,-10.73,;34.42,-11.31,;33.39,-10.04,;34.79,-10.37,;36.11,-9.87,;37.65,-9.85,;37.32,-11.14,;36.11,-8.39,;30.79,-8.15,;30.75,-9.69,)| Show InChI InChI=1S/C19H27N3O2/c1-2-22-16-4-3-5-21(18(23)15(16)11-20-22)17-13-6-12-7-14(17)10-19(24,8-12)9-13/h11-14,17,24H,2-10H2,1H3/t12?,13?,14?,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 | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430150
(CHEMBL2338261)Show SMILES O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2-c2ccccc2)C1=O |r,wU:7.13,1.0,TLB:9:8:2.3.4:6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8,11:7:2.3.4:6,(30.86,-31.1,;29.32,-31.12,;30.53,-32.38,;29.03,-31.98,;29.02,-30.39,;27.97,-29.16,;29.32,-29.63,;26.57,-29.76,;26.6,-31.29,;27.62,-32.55,;28,-31.62,;25.4,-28.77,;25.77,-27.27,;24.83,-26.04,;23.3,-26,;22.31,-27.18,;22.62,-28.7,;21.27,-29.45,;20.14,-28.42,;20.78,-27.01,;20.02,-25.68,;20.8,-24.35,;20.04,-23.01,;18.5,-23,;17.72,-24.33,;18.48,-25.67,;23.99,-29.4,;23.96,-30.94,)| Show InChI InChI=1S/C23H27N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h1-3,5-6,14-17,21,28H,4,7-13H2/t15?,16?,17?,21-,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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430153
(CHEMBL2338257)Show SMILES CCn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:11.11,18.20,TLB:15:14:21:17.16.11,15:16:20.14.13:21,11:12:20:17.15.16,THB:11:16:20:13.12.21,10:11:20.14.13:21,(27.59,-3.1,;26.81,-4.42,;27.57,-5.77,;26.93,-7.17,;28.06,-8.21,;29.41,-7.45,;29.1,-5.94,;30.09,-4.76,;31.63,-4.8,;32.56,-6.03,;32.19,-7.52,;33.37,-8.51,;34.76,-7.92,;35.81,-9.15,;35.82,-10.73,;34.42,-11.31,;33.39,-10.04,;34.79,-10.37,;36.11,-9.87,;37.65,-9.85,;37.32,-11.14,;36.11,-8.39,;30.79,-8.15,;30.75,-9.69,)| Show InChI InChI=1S/C19H27N3O2/c1-2-22-16-4-3-5-21(18(23)15(16)11-20-22)17-13-6-12-7-14(17)10-19(24,8-12)9-13/h11-14,17,24H,2-10H2,1H3/t12?,13?,14?,17-,19+ | 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 | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50430154
(CHEMBL2338256)Show SMILES Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:10.10,17.19,TLB:14:13:20:16.15.10,14:15:19.13.12:20,10:11:19:16.14.15,THB:10:15:19:12.11.20,9:10:19.13.12:20,(7.61,-4.19,;8.37,-5.53,;7.73,-6.94,;8.87,-7.98,;10.21,-7.22,;9.91,-5.71,;10.9,-4.53,;12.43,-4.57,;13.37,-5.8,;12.99,-7.29,;14.17,-8.28,;15.56,-7.69,;16.61,-8.92,;16.62,-10.5,;15.22,-11.08,;14.2,-9.81,;15.6,-10.14,;16.92,-9.64,;18.45,-9.62,;18.13,-10.91,;16.92,-8.16,;11.59,-7.92,;11.55,-9.46,)| Show InChI InChI=1S/C18H25N3O2/c1-20-15-3-2-4-21(17(22)14(15)10-19-20)16-12-5-11-6-13(16)9-18(23,7-11)8-12/h10-13,16,23H,2-9H2,1H3/t11?,12?,13?,16-,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50430154
(CHEMBL2338256)Show SMILES Cn1ncc2c1CCCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:10.10,17.19,TLB:14:13:20:16.15.10,14:15:19.13.12:20,10:11:19:16.14.15,THB:10:15:19:12.11.20,9:10:19.13.12:20,(7.61,-4.19,;8.37,-5.53,;7.73,-6.94,;8.87,-7.98,;10.21,-7.22,;9.91,-5.71,;10.9,-4.53,;12.43,-4.57,;13.37,-5.8,;12.99,-7.29,;14.17,-8.28,;15.56,-7.69,;16.61,-8.92,;16.62,-10.5,;15.22,-11.08,;14.2,-9.81,;15.6,-10.14,;16.92,-9.64,;18.45,-9.62,;18.13,-10.91,;16.92,-8.16,;11.59,-7.92,;11.55,-9.46,)| Show InChI InChI=1S/C18H25N3O2/c1-20-15-3-2-4-21(17(22)14(15)10-19-20)16-12-5-11-6-13(16)9-18(23,7-11)8-12/h10-13,16,23H,2-9H2,1H3/t11?,12?,13?,16-,18+ | 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 | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay |
Bioorg Med Chem Lett 23: 1617-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.090
BindingDB Entry DOI: 10.7270/Q27P90RZ |
More data for this
Ligand-Target Pair | |
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