Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50017007' 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)) | BDBM50017007
(CHEMBL3287026)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.21,wD:16.18,27.30,TLB:30:27:24:22.21.20,19:20:24:26.29.27,28:27:24:22.21.20,28:27:24.23.22:20,THB:29:23:20:26.27.30,29:27:24.23.22:20,30:21:24:26.29.27,(14.51,-15.82,;13.04,-16.3,;12.73,-17.8,;13.87,-18.83,;11.26,-18.28,;10.12,-17.25,;10.43,-15.75,;11.9,-15.27,;12.21,-13.76,;13.72,-14.08,;13.24,-12.61,;11.07,-12.73,;9.74,-13.5,;8.41,-12.74,;8.4,-11.2,;9.73,-10.43,;11.07,-11.2,;12.4,-10.43,;12.4,-8.89,;13.74,-11.19,;14.98,-10.31,;14.99,-8.89,;15.79,-10.28,;17.27,-10.8,;17.16,-12.34,;16.37,-10.8,;17.27,-9.73,;17.42,-8.31,;17.88,-6.85,;18.27,-9.68,;16,-7.79,)| Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-4-7-20(14)31(29,30)26-8-3-2-6-19(26)22(27)25-21-16-9-15-10-17(21)13-23(28,11-15)12-16/h4-5,7,15-17,19,21,28H,2-3,6,8-13H2,1H3,(H,25,27)/t15?,16?,17?,19-,21-,23-/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
J Med Chem 57: 4466-86 (2014)
Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50017007
(CHEMBL3287026)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.21,wD:16.18,27.30,TLB:30:27:24:22.21.20,19:20:24:26.29.27,28:27:24:22.21.20,28:27:24.23.22:20,THB:29:23:20:26.27.30,29:27:24.23.22:20,30:21:24:26.29.27,(14.51,-15.82,;13.04,-16.3,;12.73,-17.8,;13.87,-18.83,;11.26,-18.28,;10.12,-17.25,;10.43,-15.75,;11.9,-15.27,;12.21,-13.76,;13.72,-14.08,;13.24,-12.61,;11.07,-12.73,;9.74,-13.5,;8.41,-12.74,;8.4,-11.2,;9.73,-10.43,;11.07,-11.2,;12.4,-10.43,;12.4,-8.89,;13.74,-11.19,;14.98,-10.31,;14.99,-8.89,;15.79,-10.28,;17.27,-10.8,;17.16,-12.34,;16.37,-10.8,;17.27,-9.73,;17.42,-8.31,;17.88,-6.85,;18.27,-9.68,;16,-7.79,)| Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-4-7-20(14)31(29,30)26-8-3-2-6-19(26)22(27)25-21-16-9-15-10-17(21)13-23(28,11-15)12-16/h4-5,7,15-17,19,21,28H,2-3,6,8-13H2,1H3,(H,25,27)/t15?,16?,17?,19-,21-,23-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 |
J Med Chem 57: 4466-86 (2014)
Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B |
More data for this
Ligand-Target Pair | |
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