Found 34 hits of ki for UniProtKB: P16232 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50174298
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3 | PDB
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202094
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50340378
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195481
((1s,4s)-ethyl 4-(4-amino-3,5-dichloro-N-cyclopropy...)Show SMILES CCOC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.11,5.4,(3.32,-20.85,;4.65,-20.08,;5.98,-20.86,;7.32,-20.09,;8.65,-20.86,;7.32,-18.55,;8.66,-17.78,;8.67,-16.24,;7.33,-15.47,;6,-16.24,;5.99,-17.77,;7.33,-13.93,;6,-13.16,;5.23,-11.83,;4.46,-13.16,;8.67,-13.16,;8.67,-11.62,;10,-13.93,;11.33,-13.16,;12.66,-13.92,;13.99,-13.15,;12.67,-15.47,;14,-16.24,;11.33,-16.25,;11.33,-17.79,;10,-15.47,)| Show InChI InChI=1S/C19H24Cl2N2O3/c1-2-26-19(25)11-3-5-13(6-4-11)23(14-7-8-14)18(24)12-9-15(20)17(22)16(21)10-12/h9-11,13-14H,2-8,22H2,1H3/t11-,13+ | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202102
(CHEMBL375156 | N-(5-Hydroxy-adamantan-2-yl)-2-[4-(...)Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(-1.15,-33.95,;-1.14,-35.49,;.19,-36.26,;.19,-37.8,;1.52,-38.56,;2.85,-37.8,;2.85,-36.25,;1.52,-35.48,;4.19,-38.57,;4.18,-40.11,;5.51,-40.88,;6.84,-40.11,;6.84,-38.56,;5.51,-37.8,;8.18,-40.88,;9.46,-41.72,;8.99,-39.57,;7.38,-42.19,;-2.48,-36.27,;-2.47,-37.81,;-3.81,-35.5,;-5.14,-36.28,;-5.24,-37.8,;-6.33,-39.02,;-7.7,-38.37,;-7.61,-36.79,;-6.5,-35.62,;-7.88,-36.01,;-7.95,-37.5,;-9.42,-37,;-9.22,-38.7,;-6.66,-38.06,)| Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14?,15?,16?,17?,20-,22- | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195506
((4-amino-3,5-dichloro-phenyl)-(2-aza-tricyclo[3.3....)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1C2CC3CC(C2)CC1C3 |TLB:20:19:15.14.13:17,THB:9:11:15.14.13:17,20:14:17:11.18.19,15:14:11:16.17.18,15:16:11:14.13.20| Show InChI InChI=1S/C16H18Cl2N2O/c17-13-6-10(7-14(18)15(13)19)16(21)20-11-2-8-1-9(4-11)5-12(20)3-8/h6-9,11-12H,1-5,19H2 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195497
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+ | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195489
(4-amino-3,5-dichloro-N-cyclopropyl-N-((1s,4s)-4-(p...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)N1CCCC1 |wU:15.16,18.23,(.96,-40.89,;-.37,-40.12,;-.38,-38.57,;.95,-37.8,;-1.71,-37.81,;-3.04,-38.58,;-3.05,-40.12,;-1.71,-40.89,;-1.71,-42.43,;-4.38,-37.81,;-4.38,-36.27,;-5.71,-38.58,;-7.04,-37.81,;-7.81,-36.47,;-8.58,-37.81,;-5.71,-40.12,;-4.38,-40.89,;-4.38,-42.43,;-5.72,-43.2,;-7.05,-42.42,;-7.05,-40.89,;-5.72,-44.74,;-7.06,-45.5,;-4.39,-45.51,;-4.23,-47.05,;-2.73,-47.38,;-1.95,-46.05,;-2.98,-44.9,)| Show InChI InChI=1S/C21H27Cl2N3O2/c22-17-11-14(12-18(23)19(17)24)21(28)26(16-7-8-16)15-5-3-13(4-6-15)20(27)25-9-1-2-10-25/h11-13,15-16H,1-10,24H2/t13-,15+ | PDB
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| 5.20 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195485
(4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylben...)Show InChI InChI=1S/C16H20Cl2N2O/c17-13-8-10(9-14(18)15(13)19)16(21)20(12-6-7-12)11-4-2-1-3-5-11/h8-9,11-12H,1-7,19H2 | PDB
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| 5.30 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195483
(CHEMBL373547 | N-adamantan-1-yl-4-amino-3,5-dichlo...)Show SMILES CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C18H22Cl2N2O/c1-22(17(23)13-5-14(19)16(21)15(20)6-13)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9,21H2,1H3 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202086
(CHEMBL219142 | N-[(E)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:30:6.5.7,4:5:2.3.29:30,THB:7:5:2:29.28.30,7:28:2:6.4.5,8:7:2.3.29:30,(1.8,-8.48,;3.15,-9.25,;1.93,-10.52,;3.44,-10.11,;4.84,-10.69,;5.87,-9.43,;4.47,-9.76,;5.9,-7.9,;7.19,-7.07,;8.56,-7.77,;8.64,-9.31,;9.85,-6.93,;11.23,-7.63,;11.25,-9.18,;12.59,-9.92,;13.92,-9.13,;13.88,-7.59,;12.53,-6.84,;15.23,-9.92,;15.2,-11.46,;16.52,-12.26,;17.87,-11.51,;17.89,-9.96,;16.57,-9.18,;19.19,-12.31,;20.51,-13.07,;18.4,-13.63,;19.98,-10.98,;4.51,-7.31,;3.45,-8.53,;3.16,-7.77,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21- | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195482
((4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-...)Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1 Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+ | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50435691
(CHEMBL2391968)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195504
((4-amino-3,5-dichlorophenyl)(1,3,3-trimethyl-6-aza...)Show SMILES CC12CC(CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C17H22Cl2N2O/c1-16(2)6-11-7-17(3,8-16)9-21(11)15(22)10-4-12(18)14(20)13(19)5-10/h4-5,11H,6-9,20H2,1-3H3 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195493
(4-amino-3,5-dichloro-N-cyclopropyl-N-((1s,4s)-4-(1...)Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.9,12.16,(13.22,-48.19,;11.89,-47.41,;10.55,-48.17,;9.23,-47.4,;9.24,-45.86,;10.57,-45.09,;11.9,-45.87,;7.91,-45.09,;6.57,-45.85,;7.92,-43.55,;9.25,-42.78,;9.26,-41.24,;7.92,-40.47,;6.59,-41.24,;6.59,-42.77,;7.92,-38.93,;6.59,-38.16,;5.82,-36.82,;5.05,-38.16,;9.26,-38.16,;9.26,-36.62,;10.59,-38.93,;11.92,-38.16,;13.25,-38.92,;14.59,-38.15,;13.26,-40.47,;14.6,-41.24,;11.92,-41.24,;11.92,-42.78,;10.59,-40.47,)| Show InChI InChI=1S/C22H30Cl2N4O2/c1-26-8-10-27(11-9-26)21(29)14-2-4-16(5-3-14)28(17-6-7-17)22(30)15-12-18(23)20(25)19(24)13-15/h12-14,16-17H,2-11,25H2,1H3/t14-,16+ | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202087
(CHEMBL374728 | N-[(1R,3S)-5-hydroxy-2-adamantyl]-2...)Show SMILES CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.21,wD:26.30,TLB:19:20:28:23.24.25,18:19:28.22.23:25,THB:21:22:25:29.20.19,21:20:28.22.23:25,19:24:28:29.21.20,(.95,-44.73,;.96,-46.27,;2.31,-47.02,;2.21,-48.56,;3.35,-49.6,;4.88,-49.34,;5.66,-50.67,;7.21,-50.65,;7.96,-49.29,;9.45,-48.94,;9.58,-47.41,;8.17,-46.82,;7.17,-47.97,;5.63,-48,;5.05,-46.58,;3.56,-46.15,;-.36,-47.05,;-.34,-48.59,;-1.7,-46.3,;-2.98,-47.15,;-2.99,-48.68,;-3.99,-49.97,;-5.4,-49.41,;-5.41,-47.83,;-4.38,-46.58,;-5.73,-47.07,;-5.71,-48.55,;-7.26,-47.91,;-6.9,-49.84,;-4.38,-49.04,)| Show InChI InChI=1S/C24H32N2O4/c1-14(23(27)25-21-17-8-15-9-18(21)12-24(28,10-15)11-17)26-6-4-16-2-3-20-22(30-13-29-20)19(16)5-7-26/h2-3,14-15,17-18,21,28H,4-13H2,1H3,(H,25,27)/t14?,15?,17?,18?,21-,24- | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50340386
(3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...)Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 3650-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195498
(CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...)Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)| Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+ | PDB
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| 14 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195486
(CHEMBL222317 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)Show SMILES CCOC(=O)CN1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N3O3/c1-4-25-15(23)9-21-7-10(2)22(11(3)8-21)17(24)12-5-13(18)16(20)14(19)6-12/h5-6,10-11H,4,7-9,20H2,1-3H3/t10-,11+ | PDB
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| 14 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195487
(4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbe...)Show InChI InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2 | PDB
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| 16 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195488
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)| Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+ | PDB
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| 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195499
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(2-methoxyp...)Show SMILES COc1ccccc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-12-10-24(17-6-4-5-7-18(17)27-3)11-13(2)25(12)20(26)14-8-15(21)19(23)16(22)9-14/h4-9,12-13H,10-11,23H2,1-3H3/t12-,13+ | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195490
(2-((1s,4s)-4-(4-amino-3,5-dichloro-N-cyclopropylbe...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC(O)=O |wU:15.16,18.23,(25.2,-26.37,;23.86,-25.6,;23.86,-24.05,;25.19,-23.27,;22.52,-23.29,;21.19,-24.06,;21.19,-25.6,;22.52,-26.37,;22.52,-27.91,;19.86,-23.29,;19.86,-21.75,;18.52,-24.06,;17.19,-23.29,;16.42,-21.95,;15.65,-23.29,;18.52,-25.6,;19.86,-26.36,;19.85,-27.91,;18.52,-28.68,;17.19,-27.9,;17.19,-26.37,;18.51,-30.22,;17.17,-30.98,;19.84,-30.99,;19.84,-32.53,;21.17,-33.31,;21.16,-34.85,;22.5,-32.54,)| Show InChI InChI=1S/C19H23Cl2N3O4/c20-14-7-11(8-15(21)17(14)22)19(28)24(13-5-6-13)12-3-1-10(2-4-12)18(27)23-9-16(25)26/h7-8,10,12-13H,1-6,9,22H2,(H,23,27)(H,25,26)/t10-,12+ | PDB
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| 20 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195505
(CHEMBL223506 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)Show SMILES CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+ | PDB
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| 23 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195484
(1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O Show InChI InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1 | PDB
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| 39 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195503
(4-amino-N-((1s,4s)-4-(benzylcarbamoyl)cyclohexyl)-...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCc1ccccc1 |wU:18.23,15.16,(32.12,-16.53,;30.78,-15.76,;30.78,-14.21,;32.11,-13.44,;29.44,-13.45,;28.11,-14.22,;28.11,-15.76,;29.45,-16.53,;29.45,-18.07,;26.78,-13.45,;26.78,-11.91,;25.45,-14.22,;24.11,-13.45,;23.35,-12.11,;22.58,-13.45,;25.45,-15.76,;26.78,-16.53,;26.78,-18.07,;25.44,-18.84,;24.11,-18.06,;24.11,-16.53,;25.43,-20.38,;24.1,-21.14,;26.76,-21.15,;26.76,-22.69,;28.09,-23.47,;28.07,-25.01,;29.4,-25.78,;30.74,-25.02,;30.74,-23.47,;29.41,-22.7,)| Show InChI InChI=1S/C24H27Cl2N3O2/c25-20-12-17(13-21(26)22(20)27)24(31)29(19-10-11-19)18-8-6-16(7-9-18)23(30)28-14-15-4-2-1-3-5-15/h1-5,12-13,16,18-19H,6-11,14,27H2,(H,28,30)/t16-,18+ | PDB
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| 39 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50202093
(2-[3-(2-fluoro-phenoxy)-azetidin-1-yl]-N-(5-hydrox...)Show SMILES CC(N1CC(C1)Oc1ccccc1F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:17.18,wD:24.27,TLB:17:18:26:21.22.23,16:17:26.20.21:23,THB:19:20:23:27.18.17,19:18:26.20.21:23,17:22:26:27.19.18,(24.76,-36.3,;24.78,-37.84,;26.12,-38.59,;26.53,-40.07,;28.01,-39.66,;27.6,-38.17,;29.34,-40.41,;30.67,-39.62,;32.01,-40.38,;33.33,-39.6,;33.31,-38.06,;31.96,-37.3,;30.64,-38.09,;29.3,-37.34,;23.45,-38.62,;23.47,-40.16,;22.11,-37.87,;20.83,-38.72,;20.83,-40.25,;19.82,-41.54,;18.42,-40.98,;18.4,-39.39,;19.43,-38.15,;18.09,-38.64,;18.11,-40.12,;16.55,-39.48,;16.92,-41.41,;19.44,-40.61,)| Show InChI InChI=1S/C22H29FN2O3/c1-13(25-11-17(12-25)28-19-5-3-2-4-18(19)23)21(26)24-20-15-6-14-7-16(20)10-22(27,8-14)9-15/h2-5,13-17,20,27H,6-12H2,1H3,(H,24,26)/t13?,14?,15?,16?,20-,22- | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat 11beta-HSD1 |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195502
(CHEMBL221261 | N-((1s,4s)-4-((cyclohexylmethyl)car...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC1CCCCC1 |wU:18.23,15.16,(.04,-25.21,;-1.3,-24.44,;-1.31,-22.89,;.03,-22.12,;-2.64,-22.13,;-3.97,-22.9,;-3.97,-24.44,;-2.64,-25.21,;-2.64,-26.75,;-5.3,-22.13,;-5.3,-20.59,;-6.64,-22.9,;-7.97,-22.13,;-8.74,-20.79,;-9.51,-22.13,;-6.64,-24.44,;-5.3,-25.21,;-5.31,-26.75,;-6.64,-27.52,;-7.97,-26.74,;-7.97,-25.21,;-6.65,-29.06,;-7.99,-29.82,;-5.32,-29.83,;-5.32,-31.37,;-3.99,-32.15,;-4.01,-33.69,;-2.68,-34.46,;-1.34,-33.7,;-1.34,-32.15,;-2.67,-31.38,)| Show InChI InChI=1S/C24H33Cl2N3O2/c25-20-12-17(13-21(26)22(20)27)24(31)29(19-10-11-19)18-8-6-16(7-9-18)23(30)28-14-15-4-2-1-3-5-15/h12-13,15-16,18-19H,1-11,14,27H2,(H,28,30)/t16-,18+ | PDB
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| 68 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195492
(3-((2R,4R)-1-(4-amino-3,5-dichlorobenzoyl)-2-methy...)Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O Show InChI InChI=1S/C20H19Cl2N3O3/c1-11-8-13(25-16-4-2-3-5-17(16)28-20(25)27)6-7-24(11)19(26)12-9-14(21)18(23)15(22)10-12/h2-5,9-11,13H,6-8,23H2,1H3/t11-,13-/m1/s1 | PDB
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| 140 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195495
(3-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O Show InChI InChI=1S/C21H21Cl2N3O3/c1-11-7-14(26-17-5-3-4-6-18(17)29-21(26)28)8-12(2)25(11)20(27)13-9-15(22)19(24)16(23)10-13/h3-6,9-12,14H,7-8,24H2,1-2H3/t11-,12-/m1/s1 | PDB
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| 160 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM22473
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19) | PDB
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| 180 | -9.10 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195494
((4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1 Show InChI InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2 | PDB
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| 210 | 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 rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50273458
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay |
J Med Chem 51: 7953-67 (2008)
Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50195491
((4-amino-3,5-dichlorophenyl)(3-benzyl-3,6-diaza-bi...)Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CC2CC1CN(Cc1ccccc1)C2 Show InChI InChI=1S/C20H21Cl2N3O/c21-17-7-15(8-18(22)19(17)23)20(26)25-11-14-6-16(25)12-24(10-14)9-13-4-2-1-3-5-13/h1-5,7-8,14,16H,6,9-12,23H2 | PDB
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
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