Found 87 hits with Last Name = 'schmidlin' and Initial = 'f' 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)) | BDBM29840
(spiro-carboxamide scaffold, 13)Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29839
(spiro-carboxamide scaffold, 12)Show InChI InChI=1S/C19H27NO/c1-18(2,16-9-5-3-6-10-16)17(21)20-14-13-19(15-20)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29834
(spiro-carboxamide scaffold, 7)Show InChI InChI=1S/C19H24FNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390701
(CHEMBL2070229)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C21H20ClN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390710
(CHEMBL2070319)Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C1(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O/c1-14-19(18-3-2-11-24-20(18)25-14)15-8-12-26(13-15)21(27)22(9-10-22)16-4-6-17(23)7-5-16/h2-7,11,15H,8-10,12-13H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29833
(spiro-carboxamide scaffold, 6)Show InChI InChI=1S/C19H24ClNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390703
(CHEMBL2070231)Show SMILES Clc1ccc(cc1)C1(CCC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H22ClN3O/c23-17-6-4-16(5-7-17)22(9-2-10-22)21(27)26-12-8-15(14-26)19-13-25-20-18(19)3-1-11-24-20/h1,3-7,11,13,15H,2,8-10,12,14H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294781
(CHEMBL552159 | N-Adamantan-2-yl-4-(3-isopropyl-[1,...)Show SMILES CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)| Show InChI InChI=1S/C21H33N3O2/c1-12(2)20-23-18(26-24-20)11-21(3,4)10-17(25)22-19-15-6-13-5-14(8-15)9-16(19)7-13/h12-16,19H,5-11H2,1-4H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294764
(3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294767
(CHEMBL562113 | N-Adamantan-2-yl-2-{1-[(2-methoxy-p...)Show SMILES COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)| Show InChI InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294771
(CHEMBL549419 | N-Adamantan-2-yl-2-[1-(isobutylcarb...)Show SMILES CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)| Show InChI InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Mus musculus (mouse)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in mouse 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
(Homo sapiens (Human)) | BDBM50390702
(CHEMBL2070230)Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390709
(CHEMBL2070318)Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C(C)(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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UniChem
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294780
(CHEMBL560849 | N-Adamantan-2-yl-4-(3-cyclopropyl-[...)Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)C1CC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(19.12,3.89,;20.22,4.97,;21.3,3.89,;18.88,5.74,;17.55,4.96,;17.55,3.42,;16.21,5.73,;14.93,4.88,;14.92,3.35,;13.52,3,;12.2,3.49,;11,2.21,;12.5,2.63,;13.91,2.07,;12.5,4.22,;13.54,5.45,;12.19,4.98,;21.55,5.75,;22.88,4.98,;24.26,5.69,;25.35,4.61,;24.67,3.24,;23.14,3.46,;26.89,4.61,;28.22,3.83,;28.22,5.37,)| Show InChI InChI=1S/C21H31N3O2/c1-21(2,11-18-23-20(24-26-18)14-3-4-14)10-17(25)22-19-15-6-12-5-13(8-15)9-16(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294770
(CHEMBL560250 | N-Adamantan-2-yl-2-(1-{[(pyridin-2-...)Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(23,-13.1,;23,-11.56,;21.66,-10.79,;20.33,-11.56,;18.99,-10.8,;17.66,-11.57,;17.66,-13.11,;16.32,-10.81,;15.04,-11.66,;15.03,-13.19,;13.64,-13.53,;12.31,-13.05,;11.11,-14.33,;12.61,-13.91,;14.02,-14.47,;12.61,-12.32,;13.65,-11.09,;12.3,-11.56,;19.09,-12.48,;19.58,-13.94,;21.12,-13.93,;21.58,-12.46,;24.33,-10.79,;25.66,-11.55,;27,-10.78,;28.32,-11.55,;29.65,-10.78,;29.65,-9.24,;28.31,-8.47,;26.98,-9.25,)| Show InChI InChI=1S/C25H35N3O2/c29-22(27-16-21-5-1-4-8-26-21)14-25(6-2-3-7-25)15-23(30)28-24-19-10-17-9-18(12-19)13-20(24)11-17/h1,4-5,8,17-20,24H,2-3,6-7,9-16H2,(H,27,29)(H,28,30) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294765
(CHEMBL551306 | N-Adamantan-2-yl-2-{1-[(4-fluoro-ph...)Show SMILES Fc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(8.39,2.65,;7.05,3.42,;5.72,2.65,;4.39,3.41,;4.39,4.96,;3.05,5.73,;1.72,4.96,;1.72,3.42,;.38,5.72,;-.95,4.95,;-2.28,5.72,;-3.61,4.94,;-3.61,3.4,;-4.95,5.71,;-6.23,4.85,;-6.24,3.33,;-7.64,2.98,;-8.97,3.46,;-10.16,2.19,;-8.66,2.61,;-7.26,2.05,;-8.67,4.2,;-7.63,5.43,;-8.98,4.95,;-2.19,4.03,;-1.7,2.57,;-.16,2.59,;.31,4.06,;5.71,5.73,;7.04,4.97,)| Show InChI InChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50390713
(CHEMBL2070228)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C21H20FN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294769
(CHEMBL564500 | N-Adamantan-2-yl-2-{1-[(4-fluoro-be...)Show SMILES Fc1ccc(CNC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.29,-7.96,;7.96,-8.73,;7.96,-10.27,;6.63,-11.05,;5.3,-10.27,;3.97,-11.05,;2.63,-10.28,;1.3,-11.05,;1.3,-12.59,;-.04,-10.29,;-1.37,-11.06,;-2.7,-10.29,;-4.04,-11.07,;-4.03,-12.61,;-5.37,-10.3,;-6.65,-11.15,;-6.66,-12.68,;-8.06,-13.03,;-9.39,-12.55,;-10.59,-13.82,;-9.08,-13.4,;-7.68,-13.96,;-9.09,-11.81,;-8.05,-10.58,;-9.4,-11.05,;-2.61,-11.98,;-2.12,-13.44,;-.58,-13.42,;-.11,-11.95,;5.29,-8.74,;6.61,-7.97,)| Show InChI InChI=1S/C26H35FN2O2/c27-22-5-3-17(4-6-22)16-28-23(30)14-26(7-1-2-8-26)15-24(31)29-25-20-10-18-9-19(12-20)13-21(25)11-18/h3-6,18-21,25H,1-2,7-16H2,(H,28,30)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294766
(CHEMBL562112 | N-Adamantan-2-yl-2-[1-(benzylcarbam...)Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(24.76,3.6,;24.75,5.14,;23.42,5.9,;22.09,5.13,;20.75,5.9,;19.42,5.12,;19.42,3.58,;18.08,5.89,;16.8,5.03,;16.79,3.51,;15.39,3.16,;14.07,3.64,;12.87,2.36,;14.37,2.79,;15.78,2.23,;14.37,4.38,;15.4,5.61,;14.06,5.13,;20.85,4.21,;21.34,2.75,;22.88,2.77,;23.34,4.24,;26.09,5.91,;27.42,5.14,;27.43,3.6,;26.08,2.83,;26.08,1.29,;27.42,.52,;28.76,1.3,;28.75,2.84,)| Show InChI InChI=1S/C26H36N2O2/c29-23(27-17-18-6-2-1-3-7-18)15-26(8-4-5-9-26)16-24(30)28-25-21-11-19-10-20(13-21)14-22(25)12-19/h1-3,6-7,19-22,25H,4-5,8-17H2,(H,27,29)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50390708
(CHEMBL2070317)Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C1(CC1)c1ccccn1 Show InChI InChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM97725
(US8476267, 2)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC12)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H20ClN3O/c23-15-5-3-14(4-6-15)21(7-8-21)20(27)26-11-9-22(12-18(22)26)17-13-25-19-16(17)2-1-10-24-19/h1-6,10,13,18H,7-9,11-12H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck Patent GmbH
US Patent
| Assay Description
Inhibition of 11-beta-HSD-1 enzyme assay using human recombinant 11-beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD-1) enzyme was expressed in ... |
US Patent US8486964 (2013)
BindingDB Entry DOI: 10.7270/Q2VH5MG5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29832
(spiro-carboxamide scaffold, 5)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCc1ccccc21 Show InChI InChI=1S/C23H24ClNO/c24-19-9-7-18(8-10-19)23(12-13-23)21(26)25-15-14-22(16-25)11-3-5-17-4-1-2-6-20(17)22/h1-2,4,6-10H,3,5,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29830
(spiro-carboxamide scaffold, 3)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CCc3ccccc23)C1 Show InChI InChI=1S/C22H22ClNO/c23-18-7-5-17(6-8-18)22(11-12-22)20(25)24-14-13-21(15-24)10-9-16-3-1-2-4-19(16)21/h1-8H,9-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390707
(CHEMBL2070316 | US8486964, 1)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CC2CC2(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H20FN3O/c23-16-5-3-14(4-6-16)21(7-8-21)20(27)26-12-15-10-22(15,13-26)18-11-25-19-17(18)2-1-9-24-19/h1-6,9,11,15H,7-8,10,12-13H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390699
(CHEMBL2070226)Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccccc1 Show InChI InChI=1S/C21H23N3O/c1-21(2,16-7-4-3-5-8-16)20(25)24-12-10-15(14-24)18-13-23-19-17(18)9-6-11-22-19/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390705
(CHEMBL2070314)Show SMILES Fc1ccc(OC2(CC2)C(=O)N2CCC(C2)c2c[nH]c3ncccc23)cc1 Show InChI InChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)27-21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390707
(CHEMBL2070316 | US8486964, 1)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CC2CC2(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H20FN3O/c23-16-5-3-14(4-6-16)21(7-8-21)20(27)26-12-15-10-22(15,13-26)18-11-25-19-17(18)2-1-9-24-19/h1-6,9,11,15H,7-8,10,12-13H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck Patent GmbH
US Patent
| Assay Description
Inhibition of 11-beta-HSD-1 enzyme assay using human recombinant 11-beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD-1) enzyme was expressed in ... |
US Patent US8486964 (2013)
BindingDB Entry DOI: 10.7270/Q2VH5MG5 |
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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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM50390712
(CHEMBL2070321)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1c[nH]c2cnccc12 Show InChI InChI=1S/C21H20FN3O/c22-16-3-1-15(2-4-16)21(7-8-21)20(26)25-10-6-14(13-25)18-11-24-19-12-23-9-5-17(18)19/h1-5,9,11-12,14,24H,6-8,10,13H2 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390706
(CHEMBL2070315 | US8486964, 4)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC12)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H20FN3O/c23-15-5-3-14(4-6-15)21(7-8-21)20(27)26-11-9-22(12-18(22)26)17-13-25-19-16(17)2-1-10-24-19/h1-6,10,13,18H,7-9,11-12H2,(H,24,25) | PDB
MMDB
Reactome pathway
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| US Patent
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck Patent GmbH
US Patent
| Assay Description
Inhibition of 11-beta-HSD-1 enzyme assay using human recombinant 11-beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD-1) enzyme was expressed in ... |
US Patent US8486964 (2013)
BindingDB Entry DOI: 10.7270/Q2VH5MG5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390706
(CHEMBL2070315 | US8486964, 4)Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC12)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H20FN3O/c23-15-5-3-14(4-6-15)21(7-8-21)20(27)26-11-9-22(12-18(22)26)17-13-25-19-16(17)2-1-10-24-19/h1-6,10,13,18H,7-9,11-12H2,(H,24,25) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294768
(CHEMBL551973 | N-Adamantan-2-yl-2-{1-[(4-methoxy-p...)Show SMILES COc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(30.63,-7.21,;30.62,-5.67,;29.29,-4.9,;27.95,-5.68,;26.62,-4.91,;26.62,-3.36,;25.28,-2.59,;23.95,-3.37,;23.95,-4.91,;22.62,-2.6,;21.28,-3.37,;19.95,-2.61,;18.62,-3.38,;18.62,-4.92,;17.28,-2.61,;16,-3.47,;15.99,-5,;14.59,-5.34,;13.26,-4.86,;12.07,-6.14,;13.57,-5.72,;14.97,-6.27,;13.56,-4.13,;14.6,-2.9,;13.26,-3.37,;20.05,-4.29,;20.54,-5.75,;22.08,-5.73,;22.54,-4.27,;27.94,-2.6,;29.28,-3.36,)| Show InChI InChI=1S/C26H36N2O3/c1-31-22-6-4-21(5-7-22)27-23(29)15-26(8-2-3-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h4-7,17-20,25H,2-3,8-16H2,1H3,(H,27,29)(H,28,30) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294773
(CHEMBL564367 | N-Adamantan-2-yl-2-[1-(2-oxo-2-pyrr...)Show SMILES O=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(-2.8,-30.55,;-2.81,-29.01,;-1.47,-28.24,;-.14,-29,;1.19,-28.23,;2.53,-29,;2.53,-30.54,;3.86,-28.22,;5.27,-28.84,;6.3,-27.7,;5.52,-26.36,;4.02,-26.69,;-1.38,-29.92,;-.89,-31.38,;.65,-31.37,;1.11,-29.9,;-4.14,-28.25,;-5.42,-29.1,;-5.43,-30.63,;-6.83,-30.97,;-8.16,-30.49,;-9.36,-31.77,;-7.85,-31.35,;-6.45,-31.91,;-7.86,-29.76,;-6.82,-28.53,;-8.17,-29,)| Show InChI InChI=1S/C23H36N2O2/c26-20(24-22-18-10-16-9-17(12-18)13-19(22)11-16)14-23(5-1-2-6-23)15-21(27)25-7-3-4-8-25/h16-19,22H,1-15H2,(H,24,26) | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50390700
(CHEMBL2070227)Show SMILES O=C(N1CCC(C1)c1c[nH]c2ncccc12)C1(CC1)c1ccccc1 Show InChI InChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294779
(CHEMBL550036 | N-Adamantan-2-yl-3,3-dimethyl-4-(3-...)Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccccn1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(-1.74,3.17,;-.64,4.25,;.44,3.17,;-1.98,5.02,;-3.31,4.24,;-3.31,2.7,;-4.65,5.01,;-5.93,4.15,;-5.94,2.63,;-7.34,2.28,;-8.66,2.76,;-9.86,1.49,;-8.36,1.91,;-6.95,1.35,;-8.36,3.5,;-7.32,4.73,;-8.67,4.25,;.69,5.02,;2.02,4.26,;3.4,4.97,;4.49,3.89,;3.81,2.51,;2.28,2.74,;6.03,3.88,;6.79,2.55,;8.33,2.54,;9.1,3.87,;8.33,5.21,;6.79,5.21,)| Show InChI InChI=1S/C23H30N4O2/c1-23(2,13-20-26-22(27-29-20)18-5-3-4-6-24-18)12-19(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,28) | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294774
(CHEMBL560570 | N-Adamantan-2-yl-2-(1-cyclopropylca...)Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(24.92,-29.6,;24.92,-28.06,;23.58,-27.3,;22.25,-28.07,;20.91,-27.3,;19.58,-28.08,;19.59,-29.62,;18.25,-27.31,;16.96,-28.17,;16.95,-29.69,;15.56,-30.04,;14.23,-29.56,;13.03,-30.83,;14.53,-30.41,;15.94,-30.97,;14.53,-28.82,;15.57,-27.59,;14.22,-28.07,;21.01,-28.99,;21.5,-30.45,;23.04,-30.43,;23.5,-28.96,;26.25,-27.29,;27.58,-28.06,;28.36,-29.39,;29.12,-28.05,)| Show InChI InChI=1S/C22H34N2O2/c25-19(23-18-3-4-18)12-22(5-1-2-6-22)13-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h14-18,21H,1-13H2,(H,23,25)(H,24,26) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Mus musculus (mouse)) | BDBM50294764
(3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20- | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in mouse 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
(Homo sapiens (Human)) | BDBM29837
(spiro-carboxamide scaffold, 10)Show InChI InChI=1S/C18H24N2O/c21-16(18(9-10-18)15-6-2-5-12-19-15)20-13-11-17(14-20)7-3-1-4-8-17/h2,5-6,12H,1,3-4,7-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29829
(spiro-carboxamide scaffold, 2)Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCCC2(CCc3ccccc23)C1 Show InChI InChI=1S/C23H24ClNO/c24-19-8-6-18(7-9-19)23(13-14-23)21(26)25-15-3-11-22(16-25)12-10-17-4-1-2-5-20(17)22/h1-2,4-9H,3,10-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50390693
(CHEMBL2070218)Show SMILES COc1ccc(C(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)c(C)c1 Show InChI InChI=1S/C21H21FN2O2/c1-13-9-16(26-2)4-5-17(13)21(25)24-8-7-14(12-24)19-11-23-20-6-3-15(22)10-18(19)20/h3-6,9-11,14,23H,7-8,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294776
(3,3-Dimethyl-pentanedioic acid adamantan-2-ylamide...)Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(21.36,-36.48,;22.43,-35.36,;23.51,-36.45,;23.76,-34.59,;25.09,-35.36,;25.1,-36.9,;26.42,-34.58,;27.76,-35.35,;28.54,-36.68,;29.3,-35.34,;21.09,-34.6,;19.76,-35.37,;19.76,-36.91,;18.42,-34.6,;17.14,-35.46,;17.13,-36.99,;15.73,-37.33,;14.41,-36.85,;13.21,-38.13,;14.71,-37.71,;16.12,-38.26,;14.71,-36.12,;15.74,-34.89,;14.4,-35.36,)| Show InChI InChI=1S/C20H32N2O2/c1-20(2,10-17(23)21-16-3-4-16)11-18(24)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294772
(CHEMBL560449 | N-Adamantan-2-yl-2-{1-[2-(4-ethyl-p...)Show SMILES CCN1CCN(CC1)C(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(30.77,-18.12,;29.44,-17.35,;28.1,-18.12,;28.1,-19.66,;26.77,-20.42,;25.44,-19.65,;25.43,-18.12,;26.77,-17.35,;24.11,-20.43,;24.11,-21.97,;22.77,-19.66,;21.44,-20.43,;20.1,-19.67,;18.77,-20.44,;18.78,-21.98,;17.44,-19.67,;16.15,-20.53,;16.14,-22.06,;14.75,-22.4,;13.42,-21.92,;12.22,-23.2,;13.72,-22.78,;15.13,-23.33,;13.72,-21.18,;14.76,-19.96,;13.41,-20.43,;20.2,-21.35,;20.69,-22.81,;22.23,-22.79,;22.69,-21.32,)| Show InChI InChI=1S/C25H41N3O2/c1-2-27-7-9-28(10-8-27)23(30)17-25(5-3-4-6-25)16-22(29)26-24-20-12-18-11-19(14-20)15-21(24)13-18/h18-21,24H,2-17H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50294778
(CHEMBL565064 | N-Adamantan-2-yl-4-[3-(4-chloro-phe...)Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccc(Cl)cc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(20.7,-43.65,;21.8,-42.57,;22.88,-43.65,;20.46,-41.8,;19.13,-42.58,;19.13,-44.12,;17.79,-41.81,;16.51,-42.66,;16.5,-44.19,;15.1,-44.54,;13.78,-44.06,;12.58,-45.33,;14.08,-44.91,;15.49,-45.47,;14.08,-43.32,;15.12,-42.09,;13.77,-42.56,;23.13,-41.79,;24.46,-42.56,;25.84,-41.85,;26.93,-42.93,;26.25,-44.3,;24.72,-44.08,;28.47,-42.93,;29.23,-44.27,;30.77,-44.28,;31.55,-42.94,;33.09,-42.95,;30.77,-41.6,;29.24,-41.6,)| Show InChI InChI=1S/C24H30ClN3O2/c1-24(2,13-21-27-23(28-30-21)16-3-5-19(25)6-4-16)12-20(29)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h3-6,14-15,17-18,22H,7-13H2,1-2H3,(H,26,29) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM29838
(spiro-carboxamide scaffold, 11)Show InChI InChI=1S/C18H24N2O/c21-16(18(8-9-18)15-4-11-19-12-5-15)20-13-10-17(14-20)6-2-1-3-7-17/h4-5,11-12H,1-3,6-10,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 252 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Merck-Serono
| Assay Description
11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init... |
Bioorg Med Chem Lett 19: 3682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.123
BindingDB Entry DOI: 10.7270/Q2X065DQ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50294777
(CHEMBL562937 | N-Adamantan-2-yl-2-(1-cyclopropylca...)Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:7:8:12.13.15:17,8:9:12:15.16.17,8:16:12:10.14.9,(1.91,-43.51,;1.91,-41.97,;.57,-41.21,;-.76,-41.98,;-2.1,-41.22,;-3.43,-41.99,;-3.42,-43.53,;-4.76,-41.22,;-6.05,-42.08,;-6.06,-43.61,;-7.45,-43.95,;-8.78,-43.47,;-9.98,-44.75,;-8.48,-44.33,;-7.07,-44.88,;-8.48,-42.73,;-7.44,-41.51,;-8.79,-41.98,;-2.1,-42.74,;-2.11,-44.27,;-.78,-45.05,;.55,-44.29,;.57,-42.75,;3.24,-41.2,;4.58,-41.97,;5.35,-43.29,;6.12,-41.96,)| Show InChI InChI=1S/C23H36N2O2/c26-20(24-19-4-5-19)13-23(6-2-1-3-7-23)14-21(27)25-22-17-9-15-8-16(11-17)12-18(22)10-15/h15-19,22H,1-14H2,(H,24,26)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay |
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
(Homo sapiens (Human)) | BDBM50390698
(CHEMBL2070225)Show InChI InChI=1S/C19H19N3O/c1-13-5-2-3-6-15(13)19(23)22-10-8-14(12-22)17-11-21-18-16(17)7-4-9-20-18/h2-7,9,11,14H,8,10,12H2,1H3,(H,20,21) | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR... |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50390700
(CHEMBL2070227)Show SMILES O=C(N1CCC(C1)c1c[nH]c2ncccc12)C1(CC1)c1ccccc1 Show InChI InChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in mouse 3T3L1 cells assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50390700
(CHEMBL2070227)Show SMILES O=C(N1CCC(C1)c1c[nH]c2ncccc12)C1(CC1)c1ccccc1 Show InChI InChI=1S/C21H21N3O/c25-20(21(9-10-21)16-5-2-1-3-6-16)24-12-8-15(14-24)18-13-23-19-17(18)7-4-11-22-19/h1-7,11,13,15H,8-10,12,14H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck-Serono S.A.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in mouse 3T3L1 cells assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay |
Bioorg Med Chem Lett 22: 5909-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.070
BindingDB Entry DOI: 10.7270/Q2Z89DH5 |
More data for this
Ligand-Target Pair | |
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