Found 6 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50445572' 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)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human HEK cells |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human HEK cells |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,24? | 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 | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50445572
(CHEMBL3103433)Show SMILES O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)| Show InChI InChI=1S/C24H25FN4O/c25-21-7-3-15(4-8-21)14-1-5-18(6-2-14)24(13-22-26-28-29-27-22)19-9-16-10-20(24)12-17(11-19)23(16)30/h1-8,16-17,19-20,23,30H,9-13H2,(H,26,27,28,29)/t16?,17?,19?,20?,23-,24? | 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 | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
Bioorg Med Chem Lett 24: 654-60 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF |
More data for this
Ligand-Target Pair | |
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