Found 165 hits with Last Name = 'caille' and Initial = 's' 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)) | BDBM28365
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334681
(((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)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(.46,-29.77,;1.79,-28.99,;.3,-28.6,;3.13,-29.75,;4.46,-28.98,;5.8,-29.75,;5.79,-31.29,;4.47,-32.06,;3.14,-31.3,;7.13,-32.05,;7.14,-33.59,;8.46,-31.28,;8.46,-29.74,;9.23,-28.41,;7.69,-28.41,;9.8,-32.04,;11.13,-31.27,;12.46,-32.04,;12.46,-33.59,;13.89,-33.03,;15.1,-33.99,;16.53,-33.42,;17.74,-34.39,;16.76,-31.9,;11.13,-34.35,;9.8,-33.59,;13.22,-34.92,;12.44,-36.24,;13.2,-37.57,;14.73,-37.58,;15.49,-38.92,;15.5,-36.25,;14.74,-34.92,;1.78,-27.45,;3.11,-26.67,;.44,-26.68,;1.38,-25.96,)| Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-4-2-17(3-5-18)23(34)33(21-10-11-21)22-12-14-26(15-13-22,16-37-24(32)35)19-6-8-20(28)9-7-19/h2-9,21-22,36H,10-16H2,1H3,(H2,32,35)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50334680
(((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)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(10.24,-34.27,;11.57,-33.49,;10.08,-33.1,;12.91,-34.25,;14.24,-33.48,;15.58,-34.25,;15.57,-35.79,;14.25,-36.56,;12.92,-35.8,;16.91,-36.55,;16.91,-38.09,;18.24,-35.78,;18.24,-34.24,;19.01,-32.91,;17.46,-32.91,;19.58,-36.54,;20.91,-35.77,;22.24,-36.54,;22.24,-38.09,;23.66,-37.51,;24.88,-38.45,;26.31,-37.87,;27.53,-38.82,;26.52,-36.34,;20.91,-38.85,;19.58,-38.09,;23,-39.42,;24.52,-39.42,;25.28,-40.75,;24.51,-42.08,;22.97,-42.07,;22.22,-40.74,;20.68,-40.73,;11.56,-31.95,;12.89,-31.17,;10.22,-31.18,;11.16,-30.46,)| Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28/h2-9,19-20,36H,10-16H2,1H3,(H2,32,35)/t20-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM28365
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243632
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r| Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334673
(CHEMBL1642593 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(8.32,-10.39,;9.65,-9.61,;8.16,-9.22,;10.99,-10.38,;12.32,-9.6,;13.66,-10.37,;13.66,-11.91,;12.34,-12.68,;11,-11.93,;14.99,-12.67,;15,-14.22,;16.33,-11.9,;16.32,-10.36,;17.09,-9.03,;15.55,-9.03,;17.66,-12.67,;18.99,-11.89,;20.32,-12.67,;20.32,-14.21,;21.65,-13.43,;22.99,-14.19,;24.32,-13.41,;25.66,-14.17,;24.31,-11.87,;18.99,-14.97,;17.66,-14.21,;21.08,-15.54,;20.3,-16.86,;21.06,-18.19,;22.59,-18.2,;23.36,-16.87,;22.6,-15.55,;9.65,-8.07,;10.98,-7.29,;8.31,-7.3,;9.24,-6.58,)| Show InChI InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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 | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243633
((S)-N-(trans-4-Phenyl)cyclohexyl-4-(1,1,1-trifluor...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-6.04,-22.98,;-5.28,-21.65,;-6.62,-20.88,;-3.95,-22.42,;-3.95,-23.96,;-2.61,-24.73,;-1.28,-23.96,;-1.28,-22.41,;-2.62,-21.64,;.06,-24.73,;.06,-26.27,;1.39,-23.95,;1.39,-22.41,;2.15,-21.08,;.61,-21.08,;2.73,-24.72,;4.05,-23.95,;5.39,-24.73,;5.38,-26.27,;4.05,-27.04,;2.72,-26.27,;6.71,-27.04,;6.7,-28.58,;8.03,-29.35,;9.37,-28.58,;9.37,-27.04,;8.04,-26.27,;-4.51,-20.31,;-3.75,-18.97,;-3.17,-21.08,;-5.85,-19.55,)| Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243595
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243633
((S)-N-(trans-4-Phenyl)cyclohexyl-4-(1,1,1-trifluor...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-6.04,-22.98,;-5.28,-21.65,;-6.62,-20.88,;-3.95,-22.42,;-3.95,-23.96,;-2.61,-24.73,;-1.28,-23.96,;-1.28,-22.41,;-2.62,-21.64,;.06,-24.73,;.06,-26.27,;1.39,-23.95,;1.39,-22.41,;2.15,-21.08,;.61,-21.08,;2.73,-24.72,;4.05,-23.95,;5.39,-24.73,;5.38,-26.27,;4.05,-27.04,;2.72,-26.27,;6.71,-27.04,;6.7,-28.58,;8.03,-29.35,;9.37,-28.58,;9.37,-27.04,;8.04,-26.27,;-4.51,-20.31,;-3.75,-18.97,;-3.17,-21.08,;-5.85,-19.55,)| Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM28365
(CHEMBL512355 | N-[4-(2-cyanoethyl)cyclohexyl]-N-cy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C22H27F3N2O2/c1-21(29,22(23,24)25)17-8-6-16(7-9-17)20(28)27(19-12-13-19)18-10-4-15(5-11-18)3-2-14-26/h6-9,15,18-19,29H,2-5,10-13H2,1H3/t15-,18-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334677
(CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-8-6-18(7-9-19)25(36)34(20-10-11-20)21-12-15-27(16-13-21,17-14-24(33)35)22-4-2-3-5-23(22)29/h2-9,20-21,37H,10-17H2,1H3,(H2,33,35)/t21-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50334686
(CHEMBL1642590 | N-((4S)-4-(cyanomethyl)-4-phenylcy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(24.32,2.92,;25.66,3.69,;24.17,4.09,;27,2.93,;28.33,3.7,;29.67,2.94,;29.66,1.4,;28.34,.62,;27,1.38,;31,.63,;31,-.91,;32.33,1.41,;32.33,2.95,;33.1,4.28,;31.56,4.27,;33.67,.64,;35,1.42,;36.33,.64,;36.33,-.9,;37.66,-.12,;39,-.89,;40.34,-1.64,;35,-1.67,;33.67,-.9,;37.09,-2.23,;36.31,-3.56,;37.07,-4.89,;38.6,-4.9,;39.37,-3.57,;38.61,-2.24,;25.65,5.24,;26.98,6.01,;24.31,6,;25.24,6.72,)| Show InChI InChI=1S/C27H29F3N2O2/c1-25(34,27(28,29)30)20-9-7-19(8-10-20)24(33)32(22-11-12-22)23-13-15-26(16-14-23,17-18-31)21-5-3-2-4-6-21/h2-10,22-23,34H,11-17H2,1H3/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM28361
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334688
(CHEMBL1642592 | N-((4S)-4-(2-amino-2-oxoethyl)-4-p...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.27,(-9.59,-9.92,;-8.25,-9.14,;-9.74,-8.75,;-6.92,-9.91,;-5.58,-9.13,;-4.25,-9.9,;-4.25,-11.44,;-5.57,-12.22,;-6.91,-11.46,;-2.91,-12.21,;-2.91,-13.75,;-1.58,-11.43,;-1.58,-9.89,;-.82,-8.56,;-2.36,-8.57,;-.24,-12.2,;1.09,-11.42,;2.42,-12.2,;2.42,-13.74,;3.9,-13.34,;4.29,-11.84,;5.78,-11.44,;3.2,-10.76,;1.09,-14.5,;-.24,-13.74,;3.18,-15.07,;2.4,-16.39,;3.15,-17.72,;4.68,-17.73,;5.46,-16.4,;4.7,-15.08,;-8.26,-7.6,;-6.93,-6.83,;-9.6,-6.84,;-8.67,-6.12,)| Show InChI InChI=1S/C27H31F3N2O3/c1-25(35,27(28,29)30)19-9-7-18(8-10-19)24(34)32(21-11-12-21)22-13-15-26(16-14-22,17-23(31)33)20-5-3-2-4-6-20/h2-10,21-22,35H,11-17H2,1H3,(H2,31,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50248133
(CHEMBL518644 | N-((1s,4R)-4-cyano-4-cyclopropylcyc...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)C1CC1)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(24.17,-43.66,;24.94,-42.33,;25.71,-40.99,;26.27,-43.1,;26.27,-44.64,;27.6,-45.41,;28.94,-44.64,;28.93,-43.09,;27.6,-42.33,;30.28,-45.41,;30.28,-46.95,;31.61,-44.64,;31.61,-43.1,;32.37,-41.77,;30.83,-41.77,;32.94,-45.4,;34.27,-44.63,;35.6,-45.41,;35.6,-46.95,;34.26,-47.72,;32.94,-46.95,;36.93,-46.17,;38.26,-45.39,;36.93,-47.72,;37.7,-49.05,;38.48,-47.72,;23.6,-41.56,;22.26,-40.79,;22.83,-42.89,;24.36,-40.22,)| Show InChI InChI=1S/C23H27F3N2O2/c1-21(30,23(24,25)26)16-4-2-15(3-5-16)20(29)28(18-8-9-18)19-10-12-22(14-27,13-11-19)17-6-7-17/h2-5,17-19,30H,6-13H2,1H3/t19-,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50413276
(CHEMBL2021495)Show SMILES C[C@@](O)(c1ccc(cc1)C(=C)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-1.96,-5.51,;-3.05,-6.6,;-3.45,-5.11,;-1.72,-7.37,;-1.72,-8.91,;-.38,-9.68,;.95,-8.91,;.95,-7.37,;-.38,-6.6,;2.28,-9.68,;2.28,-11.22,;3.62,-8.91,;3.62,-7.37,;4.39,-6.04,;2.85,-6.04,;4.95,-9.68,;6.28,-8.91,;7.62,-9.68,;7.62,-11.22,;6.28,-11.99,;4.95,-11.22,;8.95,-11.99,;8.95,-13.53,;10.28,-14.3,;11.62,-13.53,;11.62,-11.99,;10.28,-11.22,;-4.39,-7.37,;-5.72,-6.6,;-4.39,-8.91,;-5.72,-8.14,)| Show InChI InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50413277
(CHEMBL2021496)Show SMILES C[C@@](O)(c1ccc(cc1)C(=C)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,18.23,wD:1.1,(-1.96,-5.51,;-3.05,-6.6,;-3.45,-5.11,;-1.72,-7.37,;-1.72,-8.91,;-.38,-9.68,;.95,-8.91,;.95,-7.37,;-.38,-6.6,;2.28,-9.68,;2.28,-11.22,;3.62,-8.91,;3.62,-7.37,;4.39,-6.04,;2.85,-6.04,;4.95,-9.68,;6.28,-8.91,;7.62,-9.68,;7.62,-11.22,;6.28,-11.99,;4.95,-11.22,;8.95,-11.99,;8.95,-13.53,;10.28,-14.3,;11.62,-13.53,;11.62,-11.99,;10.28,-11.22,;-4.39,-7.37,;-5.72,-6.6,;-4.39,-8.91,;-5.72,-8.14,)| Show InChI InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248020
(CHEMBL455443 | N-cyclopropyl-N-((1s,4R)-4-(pyridin...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(23.78,1.56,;24.55,2.9,;25.32,4.24,;25.88,2.13,;25.88,.59,;27.21,-.18,;28.55,.59,;28.55,2.14,;27.21,2.9,;29.89,-.18,;29.89,-1.72,;31.22,.59,;31.22,2.13,;31.98,3.46,;30.44,3.46,;32.55,-.18,;33.88,.59,;35.21,-.18,;35.21,-1.72,;33.88,-2.49,;32.55,-1.72,;36.54,-2.5,;36.53,-4.04,;37.86,-4.81,;39.2,-4.05,;39.2,-2.51,;37.87,-1.73,;23.21,3.67,;21.87,4.44,;22.44,2.34,;23.98,5.01,)| Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334674
(CHEMBL1642594 | N-cyclopropyl-N-((4R)-4-(methylsul...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CNS(C)(=O)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.29,(25.62,-10.27,;26.95,-9.49,;25.46,-9.1,;28.29,-10.25,;29.62,-9.48,;30.96,-10.25,;30.96,-11.79,;29.64,-12.56,;28.3,-11.8,;32.29,-12.55,;32.3,-14.09,;33.63,-11.78,;33.62,-10.24,;34.39,-8.91,;32.85,-8.91,;34.96,-12.55,;36.3,-11.77,;37.63,-12.55,;37.63,-14.09,;38.95,-13.31,;40.29,-14.07,;41.62,-13.29,;42.96,-14.05,;40.84,-11.95,;42.53,-12.04,;36.3,-14.85,;34.96,-14.09,;38.38,-15.42,;37.6,-16.74,;38.36,-18.07,;39.89,-18.08,;40.67,-16.75,;39.91,-15.42,;26.94,-7.95,;28.28,-7.17,;25.6,-7.18,;26.54,-6.46,)| Show InChI InChI=1S/C27H33F3N2O4S/c1-25(34,27(28,29)30)20-10-8-19(9-11-20)24(33)32(22-12-13-22)23-14-16-26(17-15-23,18-31-37(2,35)36)21-6-4-3-5-7-21/h3-11,22-23,31,34H,12-18H2,1-2H3/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243595
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM28361
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248067
(CHEMBL517760 | N-((1s,4R)-4-cyano-4-phenylcyclohex...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccccc1)C(F)(F)F |r,wU:15.16,1.2,wD:1.1,18.25,(5.37,-19.64,;6.13,-18.3,;6.9,-16.97,;7.46,-19.07,;7.46,-20.62,;8.8,-21.39,;10.13,-20.61,;10.13,-19.06,;8.79,-18.3,;11.47,-21.38,;11.47,-22.92,;12.8,-20.61,;12.8,-19.07,;13.56,-17.74,;12.02,-17.74,;14.14,-21.38,;15.46,-20.61,;16.8,-21.38,;16.79,-22.93,;15.46,-23.69,;14.13,-22.92,;18.12,-22.14,;19.45,-21.36,;18.13,-23.7,;19.45,-22.93,;20.79,-23.71,;20.78,-25.25,;19.44,-26.01,;18.11,-25.24,;4.79,-17.53,;3.45,-16.76,;4.02,-18.87,;5.56,-16.2,)| Show InChI InChI=1S/C26H27F3N2O2/c1-24(33,26(27,28)29)19-9-7-18(8-10-19)23(32)31(21-11-12-21)22-13-15-25(17-30,16-14-22)20-5-3-2-4-6-20/h2-10,21-22,33H,11-16H2,1H3/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334678
(CHEMBL1642598 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(3.06,-18.72,;4.39,-17.95,;2.9,-17.55,;5.73,-18.71,;7.06,-17.94,;8.4,-18.7,;8.39,-20.24,;7.07,-21.02,;5.74,-20.26,;9.73,-21.01,;9.74,-22.55,;11.06,-20.24,;11.06,-18.69,;11.83,-17.36,;10.28,-17.37,;12.4,-21,;13.73,-20.22,;15.06,-21,;15.06,-22.54,;16.5,-22.02,;17.69,-23,;19.13,-22.47,;20.32,-23.46,;19.4,-20.96,;13.73,-23.31,;12.4,-22.54,;15.82,-23.87,;15.04,-25.19,;15.79,-26.52,;17.33,-26.54,;18.09,-27.87,;18.1,-25.21,;17.34,-23.88,;4.38,-16.41,;5.71,-15.63,;3.04,-15.64,;3.98,-14.92,)| Show InChI InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-4-2-18(3-5-19)25(36)34(22-10-11-22)23-12-15-27(16-13-23,17-14-24(33)35)20-6-8-21(29)9-7-20/h2-9,22-23,37H,10-17H2,1H3,(H2,33,35)/t23-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50334672
(CHEMBL1642589 | N-cyclopropyl-N-((4S)-4-(2-hydroxy...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(6.46,2.51,;7.79,3.29,;6.3,3.68,;9.13,2.52,;10.46,3.3,;11.8,2.53,;11.8,.99,;10.48,.21,;9.14,.97,;13.13,.23,;13.14,-1.32,;14.47,1,;14.46,2.54,;15.23,3.87,;13.69,3.87,;15.8,.23,;17.13,1.01,;18.47,.23,;18.47,-1.31,;19.79,-.53,;21.13,-1.29,;22.46,-.51,;17.13,-2.07,;15.8,-1.31,;19.22,-2.64,;18.44,-3.96,;19.2,-5.29,;20.73,-5.3,;21.51,-3.97,;20.75,-2.65,;7.79,4.83,;9.12,5.61,;6.45,5.6,;7.38,6.32,)| Show InChI InChI=1S/C27H32F3NO3/c1-25(34,27(28,29)30)20-9-7-19(8-10-20)24(33)31(22-11-12-22)23-13-15-26(16-14-23,17-18-32)21-5-3-2-4-6-21/h2-10,22-23,32,34H,11-18H2,1H3/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243672
(1,1,1-trifluoro-2-(4-((S)-2-methylpiperidin-1-ylsu...)Show SMILES C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C15H20F3NO3S/c1-11-5-3-4-10-19(11)23(21,22)13-8-6-12(7-9-13)14(2,20)15(16,17)18/h6-9,11,20H,3-5,10H2,1-2H3/t11-,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334685
(CHEMBL1642588 | N-cyclopropyl-N-((4R)-4-(hydroxyme...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.25,(-9,1.7,;-7.67,2.47,;-9.16,2.87,;-6.33,1.71,;-5,2.48,;-3.66,1.72,;-3.67,.18,;-4.99,-.6,;-6.32,.16,;-2.33,-.59,;-2.32,-2.13,;-.99,.18,;-1,1.72,;-.23,3.06,;-1.77,3.05,;.34,-.58,;1.67,.19,;3,-.58,;3,-2.13,;4.33,-1.35,;5.67,-2.11,;1.67,-2.89,;.34,-2.13,;3.76,-3.46,;2.98,-4.78,;3.74,-6.11,;5.27,-6.12,;6.04,-4.79,;5.28,-3.46,;-7.68,4.01,;-6.35,4.79,;-9.02,4.78,;-8.08,5.5,)| Show InChI InChI=1S/C26H30F3NO3/c1-24(33,26(27,28)29)19-9-7-18(8-10-19)23(32)30(21-11-12-21)22-13-15-25(17-31,16-14-22)20-5-3-2-4-6-20/h2-10,21-22,31,33H,11-17H2,1H3/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50334676
(CHEMBL1642596 | N-((4R)-4-(acetamidomethyl)-4-phen...)Show SMILES CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1 |r,wU:23.26,8.11,wD:23.27,5.32,(9.83,-6.55,;9.44,-8.04,;10.53,-9.12,;7.95,-8.44,;7.56,-9.93,;6.08,-10.34,;6.08,-8.8,;4.75,-8.02,;3.42,-8.8,;3.42,-10.34,;4.75,-11.1,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;.75,-8.81,;.75,-10.35,;-.59,-8.04,;-.59,-6.5,;-1.92,-5.73,;-3.26,-6.51,;-3.25,-8.06,;-1.91,-8.82,;-4.59,-5.74,;-5.93,-6.52,;-6.09,-5.35,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.34,-14.33,;9.12,-13,;8.36,-11.68,)| Show InChI InChI=1S/C28H33F3N2O3/c1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31/h3-11,23-24,36H,12-18H2,1-2H3,(H,32,34)/t24-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243632
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r| Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334683
(((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)c1ccc(F)cn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-7.82,-30.88,;-6.49,-30.1,;-7.98,-29.71,;-5.15,-30.87,;-3.81,-30.09,;-2.48,-30.86,;-2.48,-32.4,;-3.8,-33.18,;-5.14,-32.42,;-1.14,-33.17,;-1.14,-34.71,;.19,-32.39,;.18,-30.85,;.95,-29.52,;-.59,-29.52,;1.53,-33.16,;2.86,-32.38,;4.19,-33.16,;4.19,-34.7,;5.66,-34.25,;6.79,-35.3,;8.26,-34.84,;9.39,-35.89,;8.6,-33.34,;2.86,-35.46,;1.53,-34.7,;4.94,-36.03,;6.47,-36.04,;7.23,-37.36,;6.45,-38.69,;7.22,-40.03,;4.92,-38.68,;4.16,-37.35,;-6.49,-28.56,;-5.16,-27.78,;-7.83,-27.8,;-6.9,-27.07,)| Show InChI InChI=1S/C26H29F4N3O4/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35)/t20-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243596
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(CC(F)(F)F)C1CCCCC1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F6NO2/c1-16(27,18(22,23)24)13-9-7-12(8-10-13)15(26)25(11-17(19,20)21)14-5-3-2-4-6-14/h7-10,14,27H,2-6,11H2,1H3/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM28361
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50413278
(CHEMBL2021499)Show SMILES C[C@@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.25,(-.4,-1.76,;-1.73,-2.53,;-1.73,-.99,;-.4,-3.3,;-.4,-4.84,;.94,-5.61,;2.27,-4.84,;2.27,-3.3,;.94,-2.53,;3.6,-5.61,;3.6,-7.15,;4.94,-4.84,;4.94,-3.3,;5.71,-1.97,;4.17,-1.97,;6.27,-5.61,;7.6,-4.84,;8.94,-5.61,;8.94,-7.15,;7.6,-7.92,;6.27,-7.15,;10.03,-6.06,;11.12,-4.97,;10.27,-7.92,;10.27,-9.46,;11.6,-10.23,;12.94,-9.46,;14.27,-10.23,;12.94,-7.92,;11.6,-7.15,;-3.07,-3.3,;-4.4,-2.53,;-3.07,-4.84,;-4.4,-4.07,)| Show InChI InChI=1S/C26H26F4N2O2/c1-24(34,26(28,29)30)18-4-2-17(3-5-18)23(33)32(21-10-11-21)22-12-14-25(16-31,15-13-22)19-6-8-20(27)9-7-19/h2-9,21-22,34H,10-15H2,1H3/t22-,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334682
(((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)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-4.83,-28.85,;-3.5,-28.08,;-4.99,-27.69,;-2.16,-28.84,;-.82,-28.07,;.51,-28.84,;.51,-30.37,;-.81,-31.15,;-2.15,-30.39,;1.85,-31.14,;1.85,-32.68,;3.18,-30.37,;3.17,-28.83,;3.94,-27.5,;2.4,-27.5,;4.52,-31.13,;5.85,-30.36,;7.18,-31.13,;7.18,-32.67,;8.29,-31.61,;9.77,-32.05,;10.89,-30.99,;12.36,-31.42,;10.52,-29.49,;5.85,-33.44,;4.52,-32.68,;7.93,-34.01,;9.46,-34.01,;10.22,-35.34,;9.44,-36.67,;7.91,-36.66,;7.15,-35.33,;-3.5,-26.54,;-2.17,-25.76,;-4.84,-25.77,;-3.91,-25.05,)| Show InChI InChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34)/t20-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50334673
(CHEMBL1642593 | N-((4S)-4-(3-amino-3-oxopropyl)-4-...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(8.32,-10.39,;9.65,-9.61,;8.16,-9.22,;10.99,-10.38,;12.32,-9.6,;13.66,-10.37,;13.66,-11.91,;12.34,-12.68,;11,-11.93,;14.99,-12.67,;15,-14.22,;16.33,-11.9,;16.32,-10.36,;17.09,-9.03,;15.55,-9.03,;17.66,-12.67,;18.99,-11.89,;20.32,-12.67,;20.32,-14.21,;21.65,-13.43,;22.99,-14.19,;24.32,-13.41,;25.66,-14.17,;24.31,-11.87,;18.99,-14.97,;17.66,-14.21,;21.08,-15.54,;20.3,-16.86,;21.06,-18.19,;22.59,-18.2,;23.36,-16.87,;22.6,-15.55,;9.65,-8.07,;10.98,-7.29,;8.31,-7.3,;9.24,-6.58,)| Show InChI InChI=1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis... |
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 |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334687
(CHEMBL1642591 | N-((4S)-4-(2-cyanoethyl)-4-phenylc...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.27,(41.95,2.91,;43.28,3.69,;41.79,4.08,;44.62,2.92,;45.95,3.7,;47.29,2.93,;47.28,1.39,;45.96,.61,;44.63,1.37,;48.62,.62,;48.63,-.92,;49.95,1.4,;49.95,2.94,;50.72,4.27,;49.18,4.26,;51.29,.63,;52.62,1.41,;53.95,.63,;53.95,-.91,;55.28,-.13,;56.62,-.89,;57.95,-.11,;59.27,.67,;52.62,-1.67,;51.29,-.91,;54.71,-2.24,;53.93,-3.56,;54.69,-4.89,;56.22,-4.9,;56.99,-3.57,;56.23,-2.25,;43.27,5.23,;44.6,6,;41.93,5.99,;42.87,6.72,)| Show InChI InChI=1S/C28H31F3N2O2/c1-26(35,28(29,30)31)21-10-8-20(9-11-21)25(34)33(23-12-13-23)24-14-17-27(18-15-24,16-5-19-32)22-6-3-2-4-7-22/h2-4,6-11,23-24,35H,5,12-18H2,1H3/t24-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human full length 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
(Homo sapiens (Human)) | BDBM50243671
((S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluor...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.20,(9.71,-.15,;10.47,1.19,;9.13,1.96,;11.8,.42,;11.8,-1.12,;13.14,-1.9,;14.47,-1.12,;14.47,.43,;13.13,1.19,;15.81,-1.89,;15.81,-3.43,;17.14,-1.12,;17.14,.42,;17.9,1.76,;16.36,1.75,;18.48,-1.89,;19.8,-1.12,;21.14,-1.89,;21.13,-3.43,;22.46,-4.2,;19.8,-4.2,;18.47,-3.43,;11.24,2.52,;12,3.87,;12.58,1.76,;9.9,3.29,)| Show InChI InChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14-,15-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248210
(CHEMBL473347 | N-cyclopropyl-N-((1s,4R)-4-(cyclopr...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](O)(CC2CC2)CC1)C(F)(F)F |r,wU:15.16,18.20,1.2,wD:1.1,18.21,(-7.88,-17.57,;-7.12,-16.23,;-6.35,-14.9,;-5.78,-17,;-5.78,-18.55,;-4.45,-19.32,;-3.11,-18.55,;-3.12,-17,;-4.45,-16.23,;-1.78,-19.31,;-1.77,-20.85,;-.44,-18.54,;-.45,-17,;.32,-15.67,;-1.22,-15.67,;.89,-19.31,;2.21,-18.54,;3.55,-19.31,;3.55,-20.86,;4.88,-20.07,;4.88,-21.63,;4.88,-23.17,;4.11,-24.5,;5.65,-24.51,;2.21,-21.62,;.88,-20.85,;-8.45,-15.46,;-9.79,-14.69,;-9.22,-16.8,;-7.69,-14.13,)| Show InChI InChI=1S/C23H30F3NO3/c1-21(29,23(24,25)26)17-6-4-16(5-7-17)20(28)27(18-8-9-18)19-10-12-22(30,13-11-19)14-15-2-3-15/h4-7,15,18-19,29-30H,2-3,8-14H2,1H3/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis... |
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
(Homo sapiens (Human)) | BDBM50248066
(CHEMBL463031 | N-((1s,4R)-4-(4-cyanophenyl)cyclohe...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(-8.49,-19.4,;-7.72,-18.07,;-6.95,-16.73,;-6.39,-18.84,;-6.39,-20.38,;-5.06,-21.15,;-3.72,-20.38,;-3.72,-18.83,;-5.06,-18.07,;-2.38,-21.15,;-2.38,-22.69,;-1.05,-20.38,;-1.05,-18.84,;-.29,-17.51,;-1.83,-17.51,;.28,-21.15,;1.61,-20.37,;2.94,-21.15,;2.94,-22.69,;1.61,-23.46,;.28,-22.69,;4.27,-23.46,;5.6,-22.7,;6.93,-23.48,;6.93,-25.02,;5.59,-25.78,;4.26,-25.01,;8.26,-25.8,;9.58,-26.58,;-9.06,-17.3,;-10.4,-16.53,;-9.83,-18.63,;-8.29,-15.96,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334680
(((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)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(10.24,-34.27,;11.57,-33.49,;10.08,-33.1,;12.91,-34.25,;14.24,-33.48,;15.58,-34.25,;15.57,-35.79,;14.25,-36.56,;12.92,-35.8,;16.91,-36.55,;16.91,-38.09,;18.24,-35.78,;18.24,-34.24,;19.01,-32.91,;17.46,-32.91,;19.58,-36.54,;20.91,-35.77,;22.24,-36.54,;22.24,-38.09,;23.66,-37.51,;24.88,-38.45,;26.31,-37.87,;27.53,-38.82,;26.52,-36.34,;20.91,-38.85,;19.58,-38.09,;23,-39.42,;24.52,-39.42,;25.28,-40.75,;24.51,-42.08,;22.97,-42.07,;22.22,-40.74,;20.68,-40.73,;11.56,-31.95,;12.89,-31.17,;10.22,-31.18,;11.16,-30.46,)| Show InChI InChI=1S/C27H30F4N2O4/c1-25(36,27(29,30)31)18-8-6-17(7-9-18)23(34)33(19-10-11-19)20-12-14-26(15-13-20,16-37-24(32)35)21-4-2-3-5-22(21)28/h2-9,19-20,36H,10-16H2,1H3,(H2,32,35)/t20-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis... |
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
(Homo sapiens (Human)) | BDBM28361
(N-cyclopropyl-N-[4-(pyridin-3-yl)cyclohexyl]-4-[(2...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)| Show InChI InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248209
(CHEMBL515717 | N-cyclopropyl-N-((1s,4R)-4-hydroxy-...)Show SMILES CC(C)[C@@]1(O)CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r,wU:22.24,7.10,3.3,wD:22.26,3.2,(34.95,-13.73,;34.96,-12.19,;36.29,-11.42,;33.63,-11.41,;34.95,-10.63,;33.63,-9.87,;32.29,-9.1,;30.97,-9.87,;30.96,-11.41,;32.29,-12.18,;29.63,-9.1,;29.63,-7.56,;30.4,-6.23,;28.86,-6.23,;28.3,-9.87,;28.3,-11.41,;26.96,-9.1,;25.63,-9.88,;24.29,-9.1,;24.3,-7.56,;25.62,-6.79,;26.96,-7.55,;22.96,-6.79,;22.2,-8.13,;23.73,-5.46,;21.62,-6.02,;20.28,-5.25,;20.85,-7.35,;22.39,-4.68,)| Show InChI InChI=1S/C22H30F3NO3/c1-14(2)21(29)12-10-18(11-13-21)26(17-8-9-17)19(27)15-4-6-16(7-5-15)20(3,28)22(23,24)25/h4-7,14,17-18,28-29H,8-13H2,1-3H3/t18-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243634
((S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,18.23,wD:1.1,(10.44,-24.23,;11.2,-22.89,;9.86,-22.12,;12.54,-23.66,;12.53,-25.2,;13.87,-25.98,;15.2,-25.2,;15.2,-23.65,;13.86,-22.89,;16.54,-25.97,;16.54,-27.51,;17.87,-25.2,;17.87,-23.66,;18.63,-22.32,;17.09,-22.33,;19.21,-25.97,;20.53,-25.2,;21.87,-25.97,;21.87,-27.51,;20.53,-28.28,;19.2,-27.51,;23.19,-28.28,;23.18,-29.82,;24.52,-30.59,;25.85,-29.83,;25.85,-28.28,;24.52,-27.51,;11.97,-21.56,;12.73,-20.21,;13.31,-22.32,;10.63,-20.79,)| Show InChI InChI=1S/C25H28F3NO2/c1-24(31,25(26,27)28)20-11-7-19(8-12-20)23(30)29(22-15-16-22)21-13-9-18(10-14-21)17-5-3-2-4-6-17/h2-8,11-12,18,21-22,31H,9-10,13-16H2,1H3/t18-,21+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243671
((S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluor...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.20,(9.71,-.15,;10.47,1.19,;9.13,1.96,;11.8,.42,;11.8,-1.12,;13.14,-1.9,;14.47,-1.12,;14.47,.43,;13.13,1.19,;15.81,-1.89,;15.81,-3.43,;17.14,-1.12,;17.14,.42,;17.9,1.76,;16.36,1.75,;18.48,-1.89,;19.8,-1.12,;21.14,-1.89,;21.13,-3.43,;22.46,-4.2,;19.8,-4.2,;18.47,-3.43,;11.24,2.52,;12,3.87,;12.58,1.76,;9.9,3.29,)| Show InChI InChI=1S/C19H23F4NO2/c1-18(26,19(21,22)23)13-4-2-12(3-5-13)17(25)24(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-16,26H,6-11H2,1H3/t14-,15-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334676
(CHEMBL1642596 | N-((4R)-4-(acetamidomethyl)-4-phen...)Show SMILES CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1 |r,wU:23.26,8.11,wD:23.27,5.32,(9.83,-6.55,;9.44,-8.04,;10.53,-9.12,;7.95,-8.44,;7.56,-9.93,;6.08,-10.34,;6.08,-8.8,;4.75,-8.02,;3.42,-8.8,;3.42,-10.34,;4.75,-11.1,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;.75,-8.81,;.75,-10.35,;-.59,-8.04,;-.59,-6.5,;-1.92,-5.73,;-3.26,-6.51,;-3.25,-8.06,;-1.91,-8.82,;-4.59,-5.74,;-5.93,-6.52,;-6.09,-5.35,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.34,-14.33,;9.12,-13,;8.36,-11.68,)| Show InChI InChI=1S/C28H33F3N2O3/c1-19(34)32-18-27(22-6-4-3-5-7-22)16-14-24(15-17-27)33(23-12-13-23)25(35)20-8-10-21(11-9-20)26(2,36)28(29,30)31/h3-11,23-24,36H,12-18H2,1-2H3,(H,32,34)/t24-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortis... |
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 | |
Search and Browse
