Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50066889' 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)) | BDBM50066889
(CHEMBL3401678)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50066889
(CHEMBL3401678)Show SMILES C[C@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N |r,wU:23.26,wD:16.17,1.0,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.5,)| Show InChI InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay |
Bioorg Med Chem Lett 25: 1679-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.003
BindingDB Entry DOI: 10.7270/Q2X3504Q |
More data for this
Ligand-Target Pair | |
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