Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50066873' 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)) | BDBM50066873
(CHEMBL3401669)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.7,2.03,;-18.88,3.25,;-19.66,1.26,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,26- | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme 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)) | BDBM50066873
(CHEMBL3401669)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.7,2.03,;-18.88,3.25,;-19.66,1.26,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,26- | 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 | 11 | 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 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme 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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