Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50448692' 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)) | BDBM50448692
(CHEMBL3127884)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@H]1CCCO1 |r,wU:5.5,1.0,wD:28.32,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(47.07,-8.34,;48.4,-9.12,;49.73,-8.35,;51.05,-9.13,;51.06,-10.67,;49.72,-11.43,;49.71,-12.97,;48.39,-10.66,;52.39,-8.37,;52.39,-6.82,;53.72,-6.05,;55.05,-6.81,;56.38,-6.04,;56.38,-4.5,;57.72,-6.8,;59.05,-6.03,;60.55,-5.64,;60.57,-4.05,;61.64,-2.84,;60.28,-3.29,;60.26,-4.78,;61.58,-5.29,;62.99,-4.97,;64.53,-4.93,;63.03,-3.44,;61.95,-6.23,;55.06,-8.37,;53.72,-9.14,;56.33,-9.23,;56.37,-10.77,;57.85,-11.21,;58.72,-9.94,;57.78,-8.72,)| Show InChI InChI=1S/C25H36N4O4/c1-14-12-29(13-15(2)33-14)24-26-11-19(22(28-24)20-4-3-5-32-20)23(30)27-21-17-6-16-7-18(21)10-25(31,8-16)9-17/h11,14-18,20-21,31H,3-10,12-13H2,1-2H3,(H,27,30)/t14-,15+,16?,17?,18?,20-,21?,25?/m1/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 | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50448692
(CHEMBL3127884)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@H]1CCCO1 |r,wU:5.5,1.0,wD:28.32,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(47.07,-8.34,;48.4,-9.12,;49.73,-8.35,;51.05,-9.13,;51.06,-10.67,;49.72,-11.43,;49.71,-12.97,;48.39,-10.66,;52.39,-8.37,;52.39,-6.82,;53.72,-6.05,;55.05,-6.81,;56.38,-6.04,;56.38,-4.5,;57.72,-6.8,;59.05,-6.03,;60.55,-5.64,;60.57,-4.05,;61.64,-2.84,;60.28,-3.29,;60.26,-4.78,;61.58,-5.29,;62.99,-4.97,;64.53,-4.93,;63.03,-3.44,;61.95,-6.23,;55.06,-8.37,;53.72,-9.14,;56.33,-9.23,;56.37,-10.77,;57.85,-11.21,;58.72,-9.94,;57.78,-8.72,)| Show InChI InChI=1S/C25H36N4O4/c1-14-12-29(13-15(2)33-14)24-26-11-19(22(28-24)20-4-3-5-32-20)23(30)27-21-17-6-16-7-18(21)10-25(31,8-16)9-17/h11,14-18,20-21,31H,3-10,12-13H2,1-2H3,(H,27,30)/t14-,15+,16?,17?,18?,20-,21?,25?/m1/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50448692
(CHEMBL3127884)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@H]1CCCO1 |r,wU:5.5,1.0,wD:28.32,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(47.07,-8.34,;48.4,-9.12,;49.73,-8.35,;51.05,-9.13,;51.06,-10.67,;49.72,-11.43,;49.71,-12.97,;48.39,-10.66,;52.39,-8.37,;52.39,-6.82,;53.72,-6.05,;55.05,-6.81,;56.38,-6.04,;56.38,-4.5,;57.72,-6.8,;59.05,-6.03,;60.55,-5.64,;60.57,-4.05,;61.64,-2.84,;60.28,-3.29,;60.26,-4.78,;61.58,-5.29,;62.99,-4.97,;64.53,-4.93,;63.03,-3.44,;61.95,-6.23,;55.06,-8.37,;53.72,-9.14,;56.33,-9.23,;56.37,-10.77,;57.85,-11.21,;58.72,-9.94,;57.78,-8.72,)| Show InChI InChI=1S/C25H36N4O4/c1-14-12-29(13-15(2)33-14)24-26-11-19(22(28-24)20-4-3-5-32-20)23(30)27-21-17-6-16-7-18(21)10-25(31,8-16)9-17/h11,14-18,20-21,31H,3-10,12-13H2,1-2H3,(H,27,30)/t14-,15+,16?,17?,18?,20-,21?,25?/m1/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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF... |
J Med Chem 57: 970-86 (2014)
Article DOI: 10.1021/jm4016729
BindingDB Entry DOI: 10.7270/Q2Z32149 |
More data for this
Ligand-Target Pair | |
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