Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50392924' 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)) | BDBM50392924
(CHEMBL2152223)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.17,20.21,wD:15.18,27.30,TLB:19:20:30.26.27:24.23.22,19:20:22:30.27.29,28:27:20.25.24:22,THB:26:25:22:30.27.29,26:27:20.25.24:22,29:27:20:24.23.22,29:23:20:30.26.27,28:27:20:24.23.22,(11.34,-28.78,;11.34,-27.24,;10,-26.47,;8.67,-27.24,;10.01,-24.93,;11.34,-24.16,;12.67,-24.92,;12.68,-26.47,;14.01,-27.24,;14.77,-28.57,;13.24,-28.56,;15.34,-26.47,;15.5,-24.92,;17.01,-24.6,;17.78,-25.94,;16.74,-27.08,;17.83,-28.17,;16.35,-28.57,;15.24,-29.65,;17.43,-29.66,;18.92,-29.26,;20.12,-27.98,;20.11,-26.5,;21.46,-26.02,;20.42,-27.25,;20.42,-28.84,;21.83,-29.4,;22.84,-28.13,;24.38,-28.07,;22.85,-26.6,;21.45,-28.47,)| Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay |
ACS Med Chem Lett 3: 793-798 (2012)
Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50392924
(CHEMBL2152223)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.17,20.21,wD:15.18,27.30,TLB:19:20:30.26.27:24.23.22,19:20:22:30.27.29,28:27:20.25.24:22,THB:26:25:22:30.27.29,26:27:20.25.24:22,29:27:20:24.23.22,29:23:20:30.26.27,28:27:20:24.23.22,(11.34,-28.78,;11.34,-27.24,;10,-26.47,;8.67,-27.24,;10.01,-24.93,;11.34,-24.16,;12.67,-24.92,;12.68,-26.47,;14.01,-27.24,;14.77,-28.57,;13.24,-28.56,;15.34,-26.47,;15.5,-24.92,;17.01,-24.6,;17.78,-25.94,;16.74,-27.08,;17.83,-28.17,;16.35,-28.57,;15.24,-29.65,;17.43,-29.66,;18.92,-29.26,;20.12,-27.98,;20.11,-26.5,;21.46,-26.02,;20.42,-27.25,;20.42,-28.84,;21.83,-29.4,;22.84,-28.13,;24.38,-28.07,;22.85,-26.6,;21.45,-28.47,)| Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay |
ACS Med Chem Lett 3: 793-798 (2012)
Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50392924
(CHEMBL2152223)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:15.17,20.21,wD:15.18,27.30,TLB:19:20:30.26.27:24.23.22,19:20:22:30.27.29,28:27:20.25.24:22,THB:26:25:22:30.27.29,26:27:20.25.24:22,29:27:20:24.23.22,29:23:20:30.26.27,28:27:20:24.23.22,(11.34,-28.78,;11.34,-27.24,;10,-26.47,;8.67,-27.24,;10.01,-24.93,;11.34,-24.16,;12.67,-24.92,;12.68,-26.47,;14.01,-27.24,;14.77,-28.57,;13.24,-28.56,;15.34,-26.47,;15.5,-24.92,;17.01,-24.6,;17.78,-25.94,;16.74,-27.08,;17.83,-28.17,;16.35,-28.57,;15.24,-29.65,;17.43,-29.66,;18.92,-29.26,;20.12,-27.98,;20.11,-26.5,;21.46,-26.02,;20.42,-27.25,;20.42,-28.84,;21.83,-29.4,;22.84,-28.13,;24.38,-28.07,;22.85,-26.6,;21.45,-28.47,)| Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11betaHSD1 in 3T3L1 cells assessed as conversion of [1,2-(N)3H]-cortisone to cortisol after 1 hr by liquid scintillation counter |
ACS Med Chem Lett 3: 793-798 (2012)
Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ |
More data for this
Ligand-Target Pair | |
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