Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50400149' 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)) | BDBM50400149
(CHEMBL2179456)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4COC4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:28.3.4,8:7:6.29.1:28.3.4,8:7:4:6.1.2,THB:0:1:7.27.28:4,2:1:7:28.3.4,2:3:7:6.29.1,29:27:4:6.1.2,29:1:7.27.28:4,(75.52,-27,;73.99,-26.98,;72.94,-25.86,;71.53,-26.41,;70.88,-27.68,;71.91,-28.76,;73.21,-28.2,;71.92,-30.5,;70.59,-31.27,;69.25,-30.51,;69.24,-28.97,;67.92,-31.28,;66.58,-30.52,;65.26,-31.29,;65.25,-32.84,;63.92,-33.6,;62.59,-32.83,;62.19,-31.35,;60.71,-31.74,;61.1,-33.23,;66.59,-33.61,;67.93,-32.83,;69.26,-33.6,;69.42,-35.13,;70.93,-35.45,;71.7,-34.11,;70.67,-32.97,;72.72,-29.17,;71.55,-27.85,;74.13,-28.61,)| Show InChI InChI=1S/C23H32N4O3/c28-21(26-19-15-5-13-6-16(19)9-23(29,7-13)8-15)18-10-24-22(25-17-11-30-12-17)27-20(18)14-3-1-2-4-14/h10,13-17,19,29H,1-9,11-12H2,(H,26,28)(H,24,25,27)/t13?,15?,16?,19-,23- | 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 | 9 | 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 | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50400149
(CHEMBL2179456)Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4COC4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:28.3.4,8:7:6.29.1:28.3.4,8:7:4:6.1.2,THB:0:1:7.27.28:4,2:1:7:28.3.4,2:3:7:6.29.1,29:27:4:6.1.2,29:1:7.27.28:4,(75.52,-27,;73.99,-26.98,;72.94,-25.86,;71.53,-26.41,;70.88,-27.68,;71.91,-28.76,;73.21,-28.2,;71.92,-30.5,;70.59,-31.27,;69.25,-30.51,;69.24,-28.97,;67.92,-31.28,;66.58,-30.52,;65.26,-31.29,;65.25,-32.84,;63.92,-33.6,;62.59,-32.83,;62.19,-31.35,;60.71,-31.74,;61.1,-33.23,;66.59,-33.61,;67.93,-32.83,;69.26,-33.6,;69.42,-35.13,;70.93,-35.45,;71.7,-34.11,;70.67,-32.97,;72.72,-29.17,;71.55,-27.85,;74.13,-28.61,)| Show InChI InChI=1S/C23H32N4O3/c28-21(26-19-15-5-13-6-16(19)9-23(29,7-13)8-15)18-10-24-22(25-17-11-30-12-17)27-20(18)14-3-1-2-4-14/h10,13-17,19,29H,1-9,11-12H2,(H,26,28)(H,24,25,27)/t13?,15?,16?,19-,23- | 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 | 66 | 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 | |
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