Found 4736 hits of affinity data for UniProtKB/TrEMBL: P28845 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317217
((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...)Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317218
((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...)Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317223
((2R)-N-(adamantan-2-yl)-1-(pyridin-2-yl)pyrrolidin...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 Show InChI InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317224
((2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrroli...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 Show InChI InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29864
(N-(Pyridin-2-yl) arylsulfonamide, 26)Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22) | PDB
MMDB
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MCE
PC cid
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Similars
| Article
PubMed
| <1 | <-50.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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DrugBank
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| MMDB
PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot |
Bioorg Med Chem 16: 8922-31 (2008)
Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317211
((2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carb...)Show InChI InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317209
((2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carbo...)Show InChI InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317212
((2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine...)Show InChI InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29863
(N-(Pyridin-2-yl) arylsulfonamide, 25)Show SMILES CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C21H19N3O2S/c1-15(2)20-4-3-5-21(23-20)24-27(25,26)19-12-10-18(11-13-19)17-8-6-16(14-22)7-9-17/h3-13,15H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | -49.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29862
(N-(Pyridin-2-yl) arylsulfonamide, 24)Show SMILES O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17N3O2S/c22-14-15-4-6-16(7-5-15)17-10-12-19(13-11-17)27(25,26)24-21-3-1-2-20(23-21)18-8-9-18/h1-7,10-13,18H,8-9H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | -49.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195289
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317219
((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...)Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317210
((2R)-N-(adamantan-2-yl)-1-methylpyrrolidine-2-carb...)Show InChI InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317216
((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50248569
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| MMDB
PDB
Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 using variable substrate cortisol concentration by Lineweaver burk plot |
Bioorg Med Chem 16: 8922-31 (2008)
Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM13746
(2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5...)Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
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Similars
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PubMed
| 3 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Amgen Inc
| Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... |
J Med Chem 50: 429-32 (2007)
Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM22473
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19) | PDB
MMDB
Reactome pathway
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PubMed
| 3 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Biovitrum AB
| Assay Description
The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA... |
J Med Chem 51: 2933-43 (2008)
Article DOI: 10.1021/jm701551j
BindingDB Entry DOI: 10.7270/Q2HM56Q8 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202094
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
| Article
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197404
(2-(2,6-dichloro-4-fluoro-phenoxy)-2-methyl-N-(5-su...)Show SMILES CC(C)(Oc1c(Cl)cc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O Show InChI InChI=1S/C20H25Cl2FN2O4S/c1-19(2,29-17-14(21)5-13(23)6-15(17)22)18(26)25-16-11-3-10-4-12(16)9-20(7-10,8-11)30(24,27)28/h5-6,10-12,16H,3-4,7-9H2,1-2H3,(H,25,26)(H2,24,27,28)/t10?,11?,12?,16-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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Similars
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317208
(CHEMBL1088115 | N-(adamantan-2-yl)-2-[cyclohexyl(e...)Show InChI InChI=1S/C20H34N2O/c1-2-22(18-6-4-3-5-7-18)13-19(23)21-20-16-9-14-8-15(11-16)12-17(20)10-14/h14-18,20H,2-13H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
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PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317222
((2R)-N-(adamantan-2-yl)-1-(2-hydroxyethyl)pyrrolid...)Show InChI InChI=1S/C17H28N2O2/c20-5-4-19-3-1-2-15(19)17(21)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,20H,1-10H2,(H,18,21)/t11?,12?,13?,14?,15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032
BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50239606
(CHEMBL4080667)Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 Show InChI InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13?,14?,16?,17?,20-,21? | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after... |
J Med Chem 60: 4932-4948 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00211
BindingDB Entry DOI: 10.7270/Q2DV1N23 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202087
(CHEMBL374728 | N-[(1R,3S)-5-hydroxy-2-adamantyl]-2...)Show SMILES CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 Show InChI InChI=1S/C24H32N2O4/c1-14(23(27)25-21-17-8-15-9-18(21)12-24(28,10-15)11-17)26-6-4-16-2-3-20-22(30-13-29-20)19(16)5-7-26/h2-3,14-15,17-18,21,28H,4-13H2,1H3,(H,25,27)/t14?,15?,17?,18?,21-,24- | PDB
MMDB
Reactome pathway
KEGG
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| Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202085
((R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluo...)Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14-,15?,16?,17?,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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Similars
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216902
(2-(adamantan-1-ylamino)-5,5-diethyl-oxazol-4-one |...)Show InChI InChI=1S/C17H26N2O2/c1-3-17(4-2)14(20)18-15(21-17)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197408
(2-(3-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-4-15(21)8-16)18(24)23-17-13-6-12-7-14(17)11-20(9-12,10-13)28(22,25)26/h3-5,8,12-14,17H,6-7,9-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197399
(2-(2-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-6-4-3-5-15(16)21)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29860
(N-(Pyridin-2-yl) arylsulfonamide, 22)Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22) | PDB
MMDB
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| 4 | -47.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195504
((4-amino-3,5-dichlorophenyl)(1,3,3-trimethyl-6-aza...)Show SMILES CC12CC(CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C17H22Cl2N2O/c1-16(2)6-11-7-17(3,8-16)9-21(11)15(22)10-4-12(18)14(20)13(19)5-10/h4-5,11H,6-9,20H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM13749
((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15-/m0/s1 | PDB
MMDB
Reactome pathway
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| 4 | -47.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Amgen Inc
| Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... |
J Med Chem 50: 429-32 (2007)
Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216921
(2-(1-adamantylamino)-1-oxa-3-azaspiro[4.4]non-2-en...)Show InChI InChI=1S/C17H24N2O2/c20-14-17(3-1-2-4-17)21-15(18-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195506
((4-amino-3,5-dichloro-phenyl)-(2-aza-tricyclo[3.3....)Show InChI InChI=1S/C16H18Cl2N2O/c17-13-6-10(7-14(18)15(13)19)16(21)20-11-2-8-1-9(4-11)5-12(20)3-8/h6-9,11-12H,1-5,19H2 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA |
Bioorg Med Chem Lett 16: 6241-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.035
BindingDB Entry DOI: 10.7270/Q2B857R4 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29866
(N-(Pyridin-2-yl) arylsulfonamide, 28)Show SMILES CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 4.80 | -47.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202093
(2-[3-(2-fluoro-phenoxy)-azetidin-1-yl]-N-(5-hydrox...)Show SMILES CC(N1CC(C1)Oc1ccccc1F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 Show InChI InChI=1S/C22H29FN2O3/c1-13(25-11-17(12-25)28-19-5-3-2-4-18(19)23)21(26)24-20-15-6-14-7-16(20)10-22(27,8-14)9-15/h2-5,13-17,20,27H,6-12H2,1H3,(H,24,26)/t13?,14?,15?,16?,20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202105
(CHEMBL218093 | N-adamantan-2-yl-2-[4-(4-chloro-phe...)Show SMILES Clc1ccc(cc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 Show InChI InChI=1S/C22H30ClN3O/c23-19-1-3-20(4-2-19)26-7-5-25(6-8-26)14-21(27)24-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,22H,5-14H2,(H,24,27) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197402
(2-(4-chloro-phenoxy)-2-methyl-N-(5-sulfamoyl-adama...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O Show InChI InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)/t12?,13?,14?,17-,20- | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197418
(2-(2-chloro-phenoxy)-N-(5-methanesulfonyl-adamanta...)Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O Show InChI InChI=1S/C21H28ClNO4S/c1-20(2,27-17-7-5-4-6-16(17)22)19(24)23-18-14-8-13-9-15(18)12-21(10-13,11-14)28(3,25)26/h4-7,13-15,18H,8-12H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,21- | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202102
(CHEMBL375156 | N-(5-Hydroxy-adamantan-2-yl)-2-[4-(...)Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14?,15?,16?,17?,20-,22- | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195298
(4-[2-(3,3-difluoro-piperidin-1-yl)-butyrylamino]-a...)Show SMILES CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O Show InChI InChI=1S/C20H31F2N3O2/c1-2-15(25-5-3-4-20(21,22)11-25)17(26)24-16-13-6-12-7-14(16)10-19(8-12,9-13)18(23)27/h12-16H,2-11H2,1H3,(H2,23,27)(H,24,26)/t12?,13?,14?,15?,16-,19- | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50224221
(5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...)Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17) | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by SPA |
Bioorg Med Chem Lett 17: 6056-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM29858
(N-(Pyridin-2-yl) arylsulfonamide, 20)Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H15ClN2O2S/c1-13-3-2-4-18(20-13)21-24(22,23)17-11-7-15(8-12-17)14-5-9-16(19)10-6-14/h2-12H,1H3,(H,20,21) | PDB
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| 5.80 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Pfizer Inc
| Assay Description
The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibit... |
Bioorg Med Chem Lett 19: 3493-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.011
BindingDB Entry DOI: 10.7270/Q2SB4428 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50197416
(2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-(5-sulfam...)Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O Show InChI InChI=1S/C20H26ClFN2O4S/c1-19(2,28-16-4-3-14(22)7-15(16)21)18(25)24-17-12-5-11-6-13(17)10-20(8-11,9-12)29(23,26)27/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,25)(H2,23,26,27)/t11?,12?,13?,17-,20- | PDB
MMDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol |
Bioorg Med Chem Lett 17: 527-32 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.008
BindingDB Entry DOI: 10.7270/Q2BZ65PP |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195301
(4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2...)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)19-3-4-20(31-14-19)33-5-7-34(8-6-33)22(16-1-2-16)23(35)32-21-17-9-15-10-18(21)13-25(11-15,12-17)24(30)36/h3-4,14-18,21-22H,1-2,5-13H2,(H2,30,36)(H,32,35)/t15?,17?,18?,21-,22?,25- | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195297
(1-piperidin-1-yl-cyclopropanecarboxylic acid (5-hy...)Show SMILES O[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 Show InChI InChI=1S/C19H30N2O2/c22-17(19(4-5-19)21-6-2-1-3-7-21)20-16-14-8-13-9-15(16)12-18(23,10-13)11-14/h13-16,23H,1-12H2,(H,20,22)/t13-,14?,15?,16+,18- | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50195302
(4-{2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin...)Show SMILES CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O Show InChI InChI=1S/C25H34F3N5O2/c1-2-19(32-5-7-33(8-6-32)20-4-3-18(14-30-20)25(26,27)28)22(34)31-21-16-9-15-10-17(21)13-24(11-15,12-16)23(29)35/h3-4,14-17,19,21H,2,5-13H2,1H3,(H2,29,35)(H,31,34)/t15?,16?,17?,19?,21-,24- | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA |
Bioorg Med Chem Lett 16: 5958-62 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.129
BindingDB Entry DOI: 10.7270/Q23R0SJT |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216904
(2-(adamantan-1-ylamino)-5-isopropyl-5-methyl-oxazo...)Show InChI InChI=1S/C17H26N2O2/c1-10(2)16(3)14(20)18-15(21-16)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19,20) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50216910
(2-(adamantan-2-ylamino)-5-isopropyl-5-methyl-oxazo...)Show InChI InChI=1S/C17H26N2O2/c1-9(2)17(3)15(20)19-16(21-17)18-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14H,4-8H2,1-3H3,(H,18,19,20) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biovitrum AB
Curated by ChEMBL
| Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 17: 4837-40 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC |
More data for this
Ligand-Target Pair | |
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