Found 109 hits of ic50 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
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | 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)) | BDBM50018759
(CHEMBL3291350)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cccc(I)c1)n3C)C2(C)C |r| Show InChI InChI=1S/C18H21IN2O/c1-17(2)13-8-9-18(17,3)15-14(13)16(22)21(20(15)4)12-7-5-6-11(19)10-12/h5-7,10,13H,8-9H2,1-4H3/t13-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | 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)) | BDBM50018761
(CHEMBL3291348)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cc(Cl)ccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(16.87,-14.9,;16.87,-13.4,;18.16,-12.66,;18.16,-11.16,;16.87,-10.41,;16.45,-8.98,;15.58,-11.16,;15.58,-12.66,;14.16,-13.12,;13.7,-14.54,;13.28,-11.91,;11.73,-11.9,;10.97,-13.24,;9.43,-13.25,;8.66,-14.58,;8.65,-11.9,;9.43,-10.56,;10.97,-10.57,;11.75,-9.23,;14.16,-10.7,;13.68,-9.23,;17.73,-11.9,;19.22,-12.76,;19.22,-11.04,)| Show InChI InChI=1S/C18H20Cl2N2O/c1-17(2)11-7-8-18(17,3)15-14(11)16(23)22(21(15)4)13-9-10(19)5-6-12(13)20/h5-6,9,11H,7-8H2,1-4H3/t11-,18+/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
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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| Article
PubMed
| n/a | n/a | 6 | 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)) | BDBM50433411
(CHEMBL2380648)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:33:30:23.28.27:25,22:23:30.32.29:27.26.25,22:23:25:30.32.31,THB:29:30:23.28.27:25,29:28:25:30.32.31,31:30:23:27.26.25,31:26:23:30.32.29,(27.21,-52.3,;27.98,-53.63,;27.21,-54.97,;26.44,-53.63,;29.52,-53.63,;30.29,-54.95,;31.82,-54.95,;32.59,-53.63,;31.82,-52.3,;30.28,-52.3,;34.12,-53.62,;34.89,-52.29,;36.42,-52.29,;37.2,-53.63,;36.43,-54.96,;34.89,-54.96,;38.74,-53.62,;39.51,-54.96,;41.04,-54.97,;41.82,-53.63,;43.36,-53.64,;44.13,-54.97,;44.28,-52.41,;45.81,-52.44,;47.01,-51.16,;47,-49.68,;48.35,-49.2,;47.31,-50.43,;47.31,-52.02,;48.72,-52.58,;49.73,-51.3,;49.74,-49.78,;48.34,-51.65,;51.27,-51.3,;52.04,-52.64,;52.04,-49.97,;41.05,-52.3,;41.83,-50.97,;41.07,-49.63,;39.51,-49.62,;38.74,-50.96,;39.51,-52.29,)| Show InChI InChI=1S/C33H45N7O2/c1-32(2,3)38-12-10-37(11-13-38)25-8-9-28(35-21-25)39-14-15-40(27-7-5-4-6-26(27)39)31(42)36-29-23-16-22-17-24(29)20-33(18-22,19-23)30(34)41/h4-9,21-24,29H,10-20H2,1-3H3,(H2,34,41)(H,36,42)/t22?,23?,24?,29-,33- | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50611946
(HSD-016 | Hsd-016) | PDB
MMDB
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UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433412
(CHEMBL2380649)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:9.41.42:6,10:9:3.8.43:42.5.6,10:9:6:3.8.4,THB:43:3:9.41.42:6,43:41:6:3.8.4,4:3:9:42.5.6,4:5:9:3.8.43,(26.96,-60.09,;26.19,-58.76,;26.96,-57.43,;24.65,-58.76,;24.66,-57.23,;23.27,-56.65,;21.92,-57.13,;21.93,-58.62,;23.26,-59.11,;20.73,-59.89,;19.19,-59.87,;18.27,-61.1,;19.04,-62.44,;16.73,-61.1,;15.96,-62.43,;14.42,-62.43,;13.65,-61.09,;12.11,-61.09,;11.33,-59.75,;9.8,-59.75,;9.03,-61.08,;9.8,-62.42,;11.34,-62.42,;7.5,-61.09,;6.73,-62.42,;5.2,-62.41,;4.43,-61.09,;5.19,-59.76,;6.73,-59.76,;2.89,-61.09,;2.88,-62.63,;1.55,-61.85,;2.12,-59.77,;2.1,-58.24,;.78,-59.01,;14.42,-59.75,;13.65,-58.42,;14.43,-57.08,;15.98,-57.09,;16.75,-58.43,;15.97,-59.77,;22.23,-59.47,;22.23,-57.89,;23.64,-60.04,)| Show InChI InChI=1S/C32H41N7O4S/c33-30(40)32-17-21-15-22(18-32)29(23(16-21)19-32)35-31(41)39-14-13-38(26-3-1-2-4-27(26)39)28-8-5-24(20-34-28)36-9-11-37(12-10-36)44(42,43)25-6-7-25/h1-5,8,20-23,25,29H,6-7,9-19H2,(H2,33,40)(H,35,41)/t21?,22?,23?,29-,32- | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
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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| Article
PubMed
| n/a | n/a | 9.10 | 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)) | BDBM50018760
(CHEMBL3291357)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1ccccc1C(F)(F)F)n3C)C2(C)C |r| Show InChI InChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3/t14-,19+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018797
(CHEMBL3291345)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1C(F)(F)F)n3C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;13.37,-6.66,;14.46,-5.57,;11.88,-6.27,;12.97,-5.16,;16.96,-8.3,;16.48,-6.83,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)| Show InChI InChI=1S/C19H21F3N2O/c1-17(2)12-9-10-18(17,3)15-14(12)16(25)24(23(15)4)13-8-6-5-7-11(13)19(20,21)22/h5-8,12H,9-10H2,1-4H3/t12-,18+/m1/s1 | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018793
(CHEMBL3291344)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1F)n3Cc1ccccc1)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.96,-10.25,;20.96,-8.75,;19.67,-8,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.95,-10.71,;16.5,-12.13,;16.08,-9.5,;14.53,-9.5,;13.77,-10.83,;12.23,-10.84,;11.45,-9.49,;12.23,-8.16,;13.77,-8.16,;14.55,-6.83,;16.96,-8.29,;16.48,-6.82,;17.51,-5.68,;19.01,-6,;20.04,-4.85,;19.56,-3.38,;18.04,-3.07,;17.02,-4.22,;20.53,-9.49,;22.02,-10.35,;22.02,-8.63,)| Show InChI InChI=1S/C24H25FN2O/c1-23(2)17-13-14-24(23,3)21-20(17)22(28)27(19-12-8-7-11-18(19)25)26(21)15-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3/t17-,24+/m1/s1 | PDB
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PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018769
(CHEMBL3291346)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccc(F)cc1F)n3Cc1ccccc1)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.96,-10.25,;20.96,-8.75,;19.67,-8,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.95,-10.71,;16.5,-12.13,;16.08,-9.5,;14.53,-9.5,;13.77,-10.83,;12.23,-10.84,;11.45,-9.49,;9.91,-9.49,;12.23,-8.16,;13.77,-8.16,;14.55,-6.83,;16.96,-8.29,;16.48,-6.82,;17.51,-5.68,;19.01,-6,;20.04,-4.85,;19.56,-3.38,;18.04,-3.07,;17.02,-4.22,;20.53,-9.49,;22.02,-10.35,;22.02,-8.63,)| Show InChI InChI=1S/C24H24F2N2O/c1-23(2)17-11-12-24(23,3)21-20(17)22(29)28(19-10-9-16(25)13-18(19)26)27(21)14-15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3/t17-,24+/m1/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50252367
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/m1/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 |
J Med Chem 51: 4068-71 (2008)
Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340822
(US9765040, Compound 14)Show SMILES CC(C)(Oc1ccc(F)cc1F)c1nnc(-c2ccc(cc2Cl)C(N)=O)n1C1CC1 Show InChI InChI=1S/C21H19ClF2N4O2/c1-21(2,30-17-8-4-12(23)10-16(17)24)20-27-26-19(28(20)13-5-6-13)14-7-3-11(18(25)29)9-15(14)22/h3-4,7-10,13H,5-6H2,1-2H3,(H2,25,29) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018794
(CHEMBL3291340)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1)n3Cc1ccccc1)C2(C)C |r| Show InChI InChI=1S/C24H26N2O/c1-23(2)19-14-15-24(23,3)21-20(19)22(27)26(18-12-8-5-9-13-18)25(21)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/t19-,24+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433405
(CHEMBL2380642)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(25.74,-29.77,;26.51,-31.1,;26.5,-32.64,;25.17,-31.86,;28.05,-31.1,;28.82,-32.42,;30.36,-32.43,;31.12,-31.1,;30.35,-29.77,;28.81,-29.77,;32.66,-31.09,;33.42,-32.43,;34.96,-32.43,;35.73,-31.1,;34.96,-29.76,;33.42,-29.76,;37.28,-31.1,;38.05,-32.43,;39.58,-32.44,;40.35,-31.11,;41.89,-31.11,;42.66,-32.45,;42.82,-29.88,;44.35,-29.9,;45.55,-28.63,;45.54,-27.14,;46.89,-26.66,;45.85,-27.9,;45.85,-29.48,;47.26,-30.05,;48.27,-28.77,;49.81,-28.77,;48.28,-27.24,;46.88,-29.12,;39.59,-29.77,;40.37,-28.44,;39.6,-27.1,;38.05,-27.09,;37.28,-28.43,;38.04,-29.76,)| Show InChI InChI=1S/C29H38N6O4S/c1-40(38,39)33-10-8-32(9-11-33)23-6-7-26(30-19-23)34-12-13-35(25-5-3-2-4-24(25)34)28(36)31-27-21-14-20-15-22(27)18-29(37,16-20)17-21/h2-7,19-22,27,37H,8-18H2,1H3,(H,31,36)/t20?,21?,22?,27-,29- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433408
(CHEMBL2380645)Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(1.87,-44.23,;2.65,-45.56,;1.88,-46.9,;1.1,-45.55,;4.19,-45.56,;4.95,-46.88,;6.49,-46.88,;7.26,-45.55,;6.49,-44.22,;4.95,-44.23,;8.79,-45.55,;9.56,-44.22,;11.09,-44.21,;11.87,-45.55,;11.1,-46.89,;9.56,-46.89,;13.41,-45.55,;14.18,-46.89,;15.71,-46.89,;16.49,-45.56,;18.03,-45.57,;18.8,-46.9,;18.95,-44.33,;20.49,-44.36,;21.68,-43.08,;21.67,-41.6,;23.02,-41.12,;21.98,-42.35,;21.99,-43.94,;23.39,-44.5,;24.41,-43.23,;25.95,-43.23,;24.42,-41.7,;23.01,-43.57,;15.72,-44.23,;16.5,-42.9,;15.74,-41.55,;14.18,-41.55,;13.41,-42.88,;14.17,-44.22,)| Show InChI InChI=1S/C32H44N6O2/c1-31(2,3)36-12-10-35(11-13-36)25-8-9-28(33-21-25)37-14-15-38(27-7-5-4-6-26(27)37)30(39)34-29-23-16-22-17-24(29)20-32(40,18-22)19-23/h4-9,21-24,29,40H,10-20H2,1-3H3,(H,34,39)/t22?,23?,24?,29-,32- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018795
(CHEMBL3291339)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1)n3CC)C2(C)C |r| Show InChI InChI=1S/C19H24N2O/c1-5-20-16-15(14-11-12-19(16,4)18(14,2)3)17(22)21(20)13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-,19+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018799
(CHEMBL3291347)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccc(F)cc1F)n3CCc1ccccc1)C2(C)C |r,wU:4.4,1.0,(16.88,-14.91,;16.88,-13.41,;18.18,-12.67,;18.18,-11.17,;16.89,-10.42,;16.46,-8.98,;15.59,-11.17,;15.59,-12.67,;14.17,-13.14,;13.71,-14.55,;13.29,-11.92,;11.75,-11.92,;10.98,-13.26,;9.44,-13.26,;8.66,-11.91,;7.11,-11.91,;9.44,-10.58,;10.98,-10.58,;11.76,-9.24,;14.17,-10.71,;13.69,-9.24,;14.72,-8.09,;14.24,-6.63,;15.26,-5.48,;14.77,-4.02,;13.26,-3.71,;12.23,-4.88,;12.73,-6.33,;17.75,-11.92,;19.24,-12.77,;19.24,-11.05,)| Show InChI InChI=1S/C25H26F2N2O/c1-24(2)18-11-13-25(24,3)22-21(18)23(30)29(20-10-9-17(26)15-19(20)27)28(22)14-12-16-7-5-4-6-8-16/h4-10,15,18H,11-14H2,1-3H3/t18-,25+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018803
(CHEMBL3291358)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1cccc(c1)-c1ccccc1C)n3C)C2(C)C |r| Show InChI InChI=1S/C26H30N2O/c1-17-9-6-7-12-20(17)19-11-8-10-18(15-19)16-28-24(29)22-21-13-14-26(4,25(21,2)3)23(22)27(28)5/h6-12,15,21H,13-14,16H2,1-5H3/t21-,26+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433410
(CHEMBL2380647)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7.39.40:4,8:7:1.6.41:40.3.4,8:7:4:1.6.2,THB:41:1:7.39.40:4,41:39:4:1.6.2,2:1:7:40.3.4,2:3:7:1.6.41,(26.68,-51.08,;25.14,-51.08,;25.15,-49.56,;23.75,-48.98,;22.41,-49.46,;22.41,-50.94,;23.74,-51.43,;21.22,-52.22,;19.68,-52.19,;18.76,-53.43,;19.53,-54.76,;17.22,-53.42,;16.44,-54.75,;14.91,-54.75,;14.14,-53.41,;12.6,-53.41,;11.82,-52.07,;10.28,-52.08,;9.52,-53.41,;10.29,-54.75,;11.83,-54.75,;7.98,-53.41,;7.22,-54.74,;5.68,-54.74,;4.91,-53.42,;5.67,-52.09,;7.22,-52.08,;3.37,-53.41,;3.36,-54.95,;2.03,-54.18,;2.6,-52.09,;2.59,-50.56,;1.26,-51.34,;14.9,-52.08,;14.14,-50.74,;14.91,-49.41,;16.47,-49.41,;17.23,-50.76,;16.45,-52.09,;22.72,-51.8,;22.71,-50.21,;24.12,-52.36,)| Show InChI InChI=1S/C31H40N6O4S/c38-30(33-29-22-15-21-16-23(29)19-31(39,17-21)18-22)37-14-13-36(26-3-1-2-4-27(26)37)28-8-5-24(20-32-28)34-9-11-35(12-10-34)42(40,41)25-6-7-25/h1-5,8,20-23,25,29,39H,6-7,9-19H2,(H,33,38)/t21?,22?,23?,29-,31- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018798
(CHEMBL3291342)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1F)n3C(C)C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;14.55,-6.83,;16.96,-8.3,;16.48,-6.83,;17.51,-5.68,;15.7,-5.48,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)| Show InChI InChI=1S/C20H25FN2O/c1-12(2)22-17-16(13-10-11-20(17,5)19(13,3)4)18(24)23(22)15-9-7-6-8-14(15)21/h6-9,12-13H,10-11H2,1-5H3/t13-,20+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340823
(US9765040, Compound 15)Show SMILES CC(C)n1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccc(cc1F)C(N)=O Show InChI InChI=1S/C21H20F4N4O2/c1-10(2)29-19(13-6-5-11(18(26)30)7-14(13)23)27-28-20(29)21(3,4)31-17-15(24)8-12(22)9-16(17)25/h5-10H,1-4H3,(H2,26,30) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433407
(CHEMBL2380644)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:33:30:23.28.27:25,22:23:30.32.29:27.26.25,22:23:25:30.32.31,THB:29:30:23.28.27:25,29:28:25:30.32.31,31:30:23:27.26.25,31:26:23:30.32.29,(28.99,-37.06,;29.76,-38.38,;29.75,-39.92,;28.42,-39.15,;31.3,-38.39,;32.07,-39.71,;33.6,-39.71,;34.37,-38.38,;33.6,-37.05,;32.06,-37.06,;35.9,-38.38,;36.67,-39.72,;38.21,-39.72,;38.98,-38.38,;38.21,-37.04,;36.67,-37.05,;40.52,-38.38,;41.29,-39.72,;42.83,-39.72,;43.6,-38.39,;45.14,-38.4,;45.91,-39.73,;46.06,-37.16,;47.59,-37.19,;48.79,-35.92,;48.78,-34.43,;50.13,-33.95,;49.09,-35.19,;49.1,-36.77,;50.5,-37.34,;51.51,-36.06,;51.53,-34.53,;50.12,-36.41,;53.05,-36.06,;53.82,-34.73,;53.82,-37.39,;42.84,-37.06,;43.62,-35.73,;42.85,-34.38,;41.3,-34.38,;40.52,-35.71,;41.29,-37.05,)| Show InChI InChI=1S/C31H40N6O4S/c1-42(40,41)35-12-10-34(11-13-35)24-6-8-25(9-7-24)36-14-15-37(27-5-3-2-4-26(27)36)30(39)33-28-22-16-21-17-23(28)20-31(18-21,19-22)29(32)38/h2-9,21-23,28H,10-20H2,1H3,(H2,32,38)(H,33,39)/t21?,22?,23?,28-,31- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340790
(US9765040, Compound 3)Show SMILES Cn1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccccc1Cl Show InChI InChI=1S/C18H15ClF3N3O/c1-18(2,26-15-13(21)8-10(20)9-14(15)22)17-24-23-16(25(17)3)11-6-4-5-7-12(11)19/h4-9H,1-3H3 | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340798
(US9765040, Compound 9)Show SMILES CC(C)n1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H21F3N4O2/c1-11(2)28-19(13-7-5-12(6-8-13)18(25)29)26-27-20(28)21(3,4)30-17-15(23)9-14(22)10-16(17)24/h5-11H,1-4H3,(H2,25,29) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433404
(CHEMBL2380641)Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(2.53,-27.78,;3.31,-29.1,;3.3,-30.64,;1.97,-29.87,;4.85,-29.11,;5.62,-30.43,;7.15,-30.43,;7.92,-29.1,;7.15,-27.77,;5.61,-27.78,;9.45,-29.1,;10.22,-30.44,;11.76,-30.44,;12.53,-29.1,;11.75,-27.76,;10.22,-27.77,;14.07,-29.1,;14.84,-30.44,;16.37,-30.44,;17.15,-29.11,;18.69,-29.12,;19.46,-30.45,;19.61,-27.88,;21.15,-27.91,;22.34,-26.63,;22.33,-25.15,;23.68,-24.67,;22.64,-25.9,;22.65,-27.49,;24.05,-28.05,;25.07,-26.78,;26.61,-26.78,;25.08,-25.25,;23.67,-27.12,;16.38,-27.78,;17.16,-26.45,;16.4,-25.1,;14.84,-25.1,;14.07,-26.43,;14.84,-27.77,)| Show InChI InChI=1S/C28H37N7O4S/c1-40(38,39)33-8-6-32(7-9-33)22-17-29-26(30-18-22)34-10-11-35(24-5-3-2-4-23(24)34)27(36)31-25-20-12-19-13-21(25)16-28(37,14-19)15-20/h2-5,17-21,25,37H,6-16H2,1H3,(H,31,36)/t19?,20?,21?,25-,28- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50334684
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1cscn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(13.73,-39.43,;15.06,-38.66,;13.57,-38.26,;16.4,-39.42,;17.73,-38.65,;19.06,-39.41,;19.06,-40.95,;17.74,-41.73,;16.4,-40.97,;20.4,-41.72,;20.4,-43.26,;21.73,-40.94,;21.72,-39.4,;22.49,-38.07,;20.95,-38.08,;23.06,-41.71,;24.39,-40.93,;25.72,-41.71,;25.72,-43.25,;27.18,-42.78,;28.33,-43.81,;29.79,-43.34,;30.93,-44.38,;30.12,-41.84,;24.39,-44.01,;23.06,-43.25,;26.48,-44.58,;28.01,-44.75,;28.32,-46.25,;26.99,-47.01,;25.85,-45.98,;15.05,-37.12,;16.38,-36.34,;13.71,-36.35,;14.65,-35.63,)| Show InChI InChI=1S/C24H28F3N3O4S/c1-22(33,24(25,26)27)16-4-2-15(3-5-16)20(31)30(17-6-7-17)18-8-10-23(11-9-18,13-34-21(28)32)19-12-35-14-29-19/h2-5,12,14,17-18,33H,6-11,13H2,1H3,(H2,28,32)/t18-,22-,23-/m0/s1 | PDB
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Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay |
Bioorg Med Chem Lett 21: 405-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50294783
(3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21- | PDB
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Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in rat liver microsome |
Bioorg Med Chem Lett 19: 2674-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.140
BindingDB Entry DOI: 10.7270/Q2JQ112H |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340791
(US9765040, Compound 4)Show SMILES Cn1c(nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F)-c1ccccc1Cl Show InChI InChI=1S/C18H15Cl2F2N3O/c1-18(2,26-15-13(21)8-10(19)9-14(15)22)17-24-23-16(25(17)3)11-6-4-5-7-12(11)20/h4-9H,1-3H3 | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340796
(US9765040, Compound 7)Show SMILES Cn1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1c[nH]nc1C(F)(F)F Show InChI InChI=1S/C16H13F6N5O/c1-15(2,28-11-9(18)4-7(17)5-10(11)19)14-26-25-13(27(14)3)8-6-23-24-12(8)16(20,21)22/h4-6H,1-3H3,(H,23,24) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018806
(CHEMBL3291343)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1F)n3CC=C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;14.55,-6.83,;16.96,-8.3,;16.48,-6.83,;17.51,-5.68,;17.04,-4.21,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)| Show InChI InChI=1S/C20H23FN2O/c1-5-12-22-17-16(13-10-11-20(17,4)19(13,2)3)18(24)23(22)15-9-7-6-8-14(15)21/h5-9,13H,1,10-12H2,2-4H3/t13-,20+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340548
(US9765040, Compound 1)Show SMILES Cn1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccc(F)cc1Br Show InChI InChI=1S/C18H14BrF4N3O/c1-18(2,27-15-13(22)7-10(21)8-14(15)23)17-25-24-16(26(17)3)11-5-4-9(20)6-12(11)19/h4-8H,1-3H3 | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018802
(CHEMBL3291354)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(22.13,-16.72,;22.13,-15.22,;23.42,-14.48,;23.42,-12.98,;22.13,-12.23,;21.71,-10.79,;20.84,-12.98,;20.84,-14.48,;19.42,-14.94,;18.96,-16.36,;18.54,-13.73,;16.99,-13.72,;16.23,-12.39,;14.69,-12.38,;13.91,-13.72,;14.69,-15.07,;16.23,-15.06,;17.01,-16.4,;19.42,-12.52,;18.94,-11.05,;22.99,-13.72,;24.49,-14.58,;24.49,-12.86,)| Show InChI InChI=1S/C18H21ClN2O/c1-17(2)11-9-10-18(17,3)15-14(11)16(22)21(20(15)4)13-8-6-5-7-12(13)19/h5-8,11H,9-10H2,1-4H3/t11-,18+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50436987
(CHEMBL2402470)Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C21H22Cl2N4O2/c1-11-7-14(27-18-6-4-3-5-17(18)25-21(27)29)8-12(2)26(11)20(28)13-9-15(22)19(24)16(23)10-13/h3-6,9-12,14H,7-8,24H2,1-2H3,(H,25,29)/t11-,12-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Eur J Med Chem 65: 403-14 (2013)
Article DOI: 10.1016/j.ejmech.2013.05.010
BindingDB Entry DOI: 10.7270/Q2JS9RV7 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018807
(CHEMBL3291355)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cccc(OC)c1)n3C)C2(C)C |r| Show InChI InChI=1S/C19H24N2O2/c1-18(2)14-9-10-19(18,3)16-15(14)17(22)21(20(16)4)12-7-6-8-13(11-12)23-5/h6-8,11,14H,9-10H2,1-5H3/t14-,19+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50252244
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C23H28F4N4O2S/c1-17-16-30(22-7-6-18(24)14-21(22)23(25,26)27)12-13-31(17)34(32,33)20-5-3-4-19(15-20)29-10-8-28(2)9-11-29/h3-7,14-15,17H,8-13,16H2,1-2H3/t17-/m1/s1 | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 |
J Med Chem 51: 4068-71 (2008)
Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340642
(US9765040, Compound 2)Show SMILES Cn1c(nnc1C(C)(C)Oc1c(F)cc(F)cc1F)-c1ccc(F)cc1Cl Show InChI InChI=1S/C18H14ClF4N3O/c1-18(2,27-15-13(22)7-10(21)8-14(15)23)17-25-24-16(26(17)3)11-5-4-9(20)6-12(11)19/h4-8H,1-3H3 | PDB
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| US Patent
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50448696
(CHEMBL3127869)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)| Show InChI InChI=1S/C22H27N3O3S/c23-10-21(3-4-21)11-28-20-25-17(13-1-2-13)18(29-20)19(26)24-16-14-5-12-6-15(16)9-22(27,7-12)8-14/h12-16,27H,1-9,11H2,(H,24,26)/t12?,14?,15?,16-,22- | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF assay |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340803
(US9765040, Compound 11)Show SMILES CC(C)(Oc1ccc(F)cc1F)c1nnc(-c2ccc(cc2F)C(N)=O)n1C1CC1 Show InChI InChI=1S/C21H19F3N4O2/c1-21(2,30-17-8-4-12(22)10-16(17)24)20-27-26-19(28(20)13-5-6-13)14-7-3-11(18(25)29)9-15(14)23/h3-4,7-10,13H,5-6H2,1-2H3,(H2,25,29) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433409
(CHEMBL2380646)Show SMILES CC(=O)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:22.23,wD:29.32,TLB:30:29:22.27.26:24,21:22:29.32.28:26.25.24,21:22:24:29.32.31,THB:28:29:22.27.26:24,28:27:24:29.32.31,31:29:22:26.25.24,31:25:22:29.32.28,(27.96,-44.51,;28.73,-45.83,;27.96,-47.17,;30.28,-45.84,;31.04,-47.16,;32.58,-47.16,;33.35,-45.83,;32.58,-44.5,;31.04,-44.51,;34.88,-45.83,;35.65,-44.5,;37.18,-44.49,;37.96,-45.83,;37.19,-47.17,;35.65,-47.17,;39.5,-45.83,;40.27,-47.17,;41.81,-47.17,;42.58,-45.84,;44.12,-45.85,;44.89,-47.18,;45.04,-44.61,;46.58,-44.64,;47.78,-43.36,;47.77,-41.88,;49.12,-41.4,;48.08,-42.63,;48.08,-44.22,;49.49,-44.78,;50.5,-43.51,;52.04,-43.51,;50.51,-41.98,;49.11,-43.85,;41.82,-44.51,;42.6,-43.18,;41.83,-41.83,;40.28,-41.83,;39.5,-43.16,;40.27,-44.5,)| Show InChI InChI=1S/C30H38N6O3/c1-20(37)33-8-10-34(11-9-33)24-6-7-27(31-19-24)35-12-13-36(26-5-3-2-4-25(26)35)29(38)32-28-22-14-21-15-23(28)18-30(39,16-21)17-22/h2-7,19,21-23,28,39H,8-18H2,1H3,(H,32,38)/t21?,22?,23?,28-,30- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340814
(US9765040, Compound 13)Show SMILES CC(C)n1c(nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H21ClF2N4O2/c1-11(2)28-19(13-7-5-12(6-8-13)18(25)29)26-27-20(28)21(3,4)30-17-15(23)9-14(22)10-16(17)24/h5-11H,1-4H3,(H2,25,29) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50433402
(CHEMBL2380639)Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12 |r,wU:21.22,wD:28.35,TLB:31:28:21.26.25:23,20:21:28.30.27:25.24.23,20:21:23:28.30.29,THB:27:28:21.26.25:23,27:26:23:28.30.29,29:28:21:25.24.23,29:24:21:28.30.27,(1.22,-19.65,;2,-20.98,;3.54,-20.98,;4.3,-22.3,;5.84,-22.3,;6.61,-20.98,;5.84,-19.65,;4.3,-19.65,;8.14,-20.97,;8.91,-22.31,;10.45,-22.31,;11.22,-20.98,;10.44,-19.64,;8.91,-19.64,;12.76,-20.97,;13.53,-22.31,;15.07,-22.32,;15.84,-20.98,;17.38,-20.99,;18.15,-22.32,;18.3,-19.76,;19.84,-19.78,;21.04,-18.5,;21.03,-17.02,;22.38,-16.54,;21.34,-17.78,;21.34,-19.36,;22.75,-19.93,;23.76,-18.65,;23.77,-17.12,;22.37,-19,;25.3,-18.65,;26.07,-19.98,;26.07,-17.31,;15.08,-19.65,;15.86,-18.32,;15.09,-16.97,;13.53,-16.97,;12.76,-18.31,;13.53,-19.64,)| Show InChI InChI=1S/C31H34N6O3/c1-40-24-8-6-20(7-9-24)23-17-33-29(34-18-23)36-10-11-37(26-5-3-2-4-25(26)36)30(39)35-27-21-12-19-13-22(27)16-31(14-19,15-21)28(32)38/h2-9,17-19,21-22,27H,10-16H2,1H3,(H2,32,38)(H,35,39)/t19?,21?,22?,27-,31- | PDB
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Sanofi R&D
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 |
Bioorg Med Chem Lett 23: 2414-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM340797
(US9765040, Compound 8)Show SMILES CCn1c(nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C20H19ClF2N4O2/c1-4-27-18(12-7-5-11(6-8-12)17(24)28)25-26-19(27)20(2,3)29-16-14(22)9-13(21)10-15(16)23/h5-10H,4H2,1-3H3,(H2,24,28) | PDB
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Astellas Pharma Inc.
US Patent
| Assay Description
The procedure for measuring the 11β-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384... |
US Patent US9765040 (2017)
BindingDB Entry DOI: 10.7270/Q22N54DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50018809
(CHEMBL3291356)Show SMILES [H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1ccccc1)n3C)C2(C)C |r| Show InChI InChI=1S/C19H24N2O/c1-18(2)14-10-11-19(18,3)16-15(14)17(22)21(20(16)4)12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,19+/m1/s1 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA |
Bioorg Med Chem Lett 24: 2707-11 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.049
BindingDB Entry DOI: 10.7270/Q2TM7CPF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50252438
((2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-meth...)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1 | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of rat 11betaHSD1 |
J Med Chem 51: 4068-71 (2008)
Article DOI: 10.1021/jm8004948
BindingDB Entry DOI: 10.7270/Q22N523V |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50016983
(CHEMBL3220543)Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(SC)n1 |r,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C23H29N3O3S/c1-30-21-15(2-3-18(24-21)26-10-16-17(11-26)19(16)22(28)29)20(27)25-23-7-12-4-13(8-23)6-14(5-12)9-23/h2-3,12-14,16-17,19H,4-11H2,1H3,(H,25,27)(H,28,29)/t12?,13?,14?,16-,17+,19+,23? | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged full length rat 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins m... |
J Med Chem 57: 4466-86 (2014)
Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50399335
(CHEMBL2177609)Show SMILES CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(26.01,-25.71,;26.64,-24.31,;28.17,-24.15,;27.4,-25.64,;25.74,-23.06,;26.22,-21.6,;24.97,-20.69,;23.72,-21.6,;24.2,-23.06,;23.29,-24.31,;21.76,-24.13,;20.85,-25.38,;21.48,-26.79,;23.02,-26.95,;23.91,-25.7,;20.57,-28.04,;19.04,-27.88,;21.2,-29.44,;27.68,-21.12,;28,-19.62,;28.82,-22.16,;30.29,-21.68,;31.49,-20.41,;32.81,-20.9,;34.21,-20.55,;34.22,-19.02,;32.82,-18.44,;31.48,-18.92,;31.79,-19.67,;31.79,-21.26,;33.2,-21.83,)| Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His tagged full length rat 11betaHSD1 incubated for 25 mins by HTRF assay |
J Med Chem 55: 10136-47 (2012)
Article DOI: 10.1021/jm301252n
BindingDB Entry DOI: 10.7270/Q2WM1FJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50334675
(((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-5.93,-6.52,;-4.6,-5.74,;-6.09,-5.35,;-3.26,-6.51,;-1.92,-5.73,;-.59,-6.5,;-.59,-8.04,;-1.91,-8.82,;-3.25,-8.06,;.75,-8.81,;.75,-10.35,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;3.42,-8.8,;4.75,-8.02,;6.08,-8.8,;6.08,-10.34,;7.56,-9.94,;7.95,-8.44,;9.44,-8.04,;9.83,-6.55,;10.53,-9.12,;4.75,-11.1,;3.42,-10.34,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.35,-14.33,;9.12,-13,;8.36,-11.68,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,)| Show InChI InChI=1S/C27H31F3N2O4/c1-25(35,27(28,29)30)19-9-7-18(8-10-19)23(33)32(21-11-12-21)22-13-15-26(16-14-22,17-36-24(31)34)20-5-3-2-4-6-20/h2-10,21-22,35H,11-17H2,1H3,(H2,31,34)/t22-,25-,26-/m0/s1 | PDB
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Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of rat 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay |
Bioorg Med Chem Lett 21: 405-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.129
BindingDB Entry DOI: 10.7270/Q2K937SB |
More data for this
Ligand-Target Pair | |
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