Found 5 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50243635' 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)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort... |
Bioorg Med Chem Lett 19: 1446-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.026
BindingDB Entry DOI: 10.7270/Q2TD9Z8S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 in human adipocytes |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50243635
((S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1...)Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| Show InChI InChI=1S/C26H27F3N2O2/c1-25(33,26(27,28)29)21-10-6-20(7-11-21)24(32)31(23-14-15-23)22-12-8-19(9-13-22)18-4-2-17(16-30)3-5-18/h2-7,10-11,19,22-23,33H,8-9,12-15H2,1H3/t19-,22-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells in presence of 3% human serum albumin |
J Med Chem 51: 3953-60 (2008)
Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ |
More data for this
Ligand-Target Pair | |
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