Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400171' 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
(Mus musculus (mouse)) | BDBM50400171
(CHEMBL2179022)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,17.17,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(37.71,-4.28,;36.18,-4.27,;35.13,-3.15,;33.72,-3.69,;33.07,-4.97,;34.1,-6.04,;35.4,-5.49,;34.11,-7.79,;32.78,-8.56,;31.44,-7.8,;31.44,-6.26,;30.11,-8.57,;28.77,-7.81,;27.45,-8.58,;27.44,-10.12,;26.11,-10.89,;24.78,-10.12,;23.44,-10.89,;23.29,-12.42,;21.78,-12.74,;21.01,-11.4,;22.05,-10.26,;28.78,-10.89,;30.12,-10.12,;31.45,-10.89,;31.61,-12.42,;33.12,-12.74,;33.89,-11.4,;32.86,-10.26,;34.91,-6.46,;33.74,-5.14,;36.32,-5.9,)| Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m0/s1 | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 by HTRF assay |
J Med Chem 55: 10652-61 (2012)
Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50400171
(CHEMBL2179022)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC[C@@H]4CCCO4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,17.17,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(37.71,-4.28,;36.18,-4.27,;35.13,-3.15,;33.72,-3.69,;33.07,-4.97,;34.1,-6.04,;35.4,-5.49,;34.11,-7.79,;32.78,-8.56,;31.44,-7.8,;31.44,-6.26,;30.11,-8.57,;28.77,-7.81,;27.45,-8.58,;27.44,-10.12,;26.11,-10.89,;24.78,-10.12,;23.44,-10.89,;23.29,-12.42,;21.78,-12.74,;21.01,-11.4,;22.05,-10.26,;28.78,-10.89,;30.12,-10.12,;31.45,-10.89,;31.61,-12.42,;33.12,-12.74,;33.89,-11.4,;32.86,-10.26,;34.91,-6.46,;33.74,-5.14,;36.32,-5.9,)| Show InChI InChI=1S/C25H36N4O3/c30-23(28-21-17-8-15-9-18(21)12-25(31,10-15)11-17)20-14-27-24(26-13-19-6-3-7-32-19)29-22(20)16-4-1-2-5-16/h14-19,21,31H,1-13H2,(H,28,30)(H,26,27,29)/t15?,17?,18?,19-,21-,25-/m0/s1 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 by HTRF assay |
J Med Chem 55: 10652-61 (2012)
Article DOI: 10.1021/jm3013163
BindingDB Entry DOI: 10.7270/Q2BG2Q4S |
More data for this
Ligand-Target Pair | |
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