BindingDB logo
myBDB logout

9 similar compounds to monomer 50392919

Compile data set for download or QSAR
Wt: 398.9
BDBM50429327
Purchase
Wt: 436.9
BDBM50448233
Wt: 482.0
BDBM50448235
Wt: 439.0
BDBM50448238
Wt: 424.9
BDBM50448240
Wt: 424.9
BDBM50448241
Wt: 482.0
BDBM50448242
Wt: 386.9
BDBM50448244
Wt: 453.0
BDBM50017008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50429327,50448233,50448235,50448238,50448240,50448241,50448242,50448244,50017008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50017008
PNG
(CHEMBL3287025)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Show InChI InChI=1S/C23H33ClN2O3S/c1-15-18(24)8-5-9-19(15)30(28,29)26-12-6-7-16(14-26)21(27)25-20-13-17-10-11-23(20,4)22(17,2)3/h5,8-9,16-17,20H,6-7,10-14H2,1-4H3,(H,25,27)/t16-,17-,20-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50017008
PNG
(CHEMBL3287025)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Show InChI InChI=1S/C23H33ClN2O3S/c1-15-18(24)8-5-9-19(15)30(28,29)26-12-6-7-16(14-26)21(27)25-20-13-17-10-11-23(20,4)22(17,2)3/h5,8-9,16-17,20H,6-7,10-14H2,1-4H3,(H,25,27)/t16-,17-,20-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/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))
BDBM50448233
PNG
(CHEMBL3120816)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
Show InChI InChI=1S/C22H29ClN2O3S/c1-13-18(23)3-2-4-19(13)29(27,28)25-22(5-6-22)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-4,14-17,21,25H,5-12H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448235
PNG
(CHEMBL3120758)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show InChI InChI=1S/C23H32ClN3O4S/c1-13-17(24)5-4-6-18(13)32(30,31)27-22(2,3)12-19(28)26-20-15-7-14-8-16(20)11-23(9-14,10-15)21(25)29/h4-6,14-16,20,27H,7-12H2,1-3H3,(H2,25,29)(H,26,28)/t14?,15?,16?,20-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50448238
PNG
(CHEMBL3120754)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C22H31ClN2O3S/c1-13-18(23)5-4-6-19(13)29(27,28)25-22(2,3)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h4-6,14-17,21,25H,7-12H2,1-3H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 113n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in mouse liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448233
PNG
(CHEMBL3120816)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
Show InChI InChI=1S/C22H29ClN2O3S/c1-13-18(23)3-2-4-19(13)29(27,28)25-22(5-6-22)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-4,14-17,21,25H,5-12H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50429327
PNG
(CHEMBL2334144)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11-beta HSD1 transfected in HEK293 cell microsomes assessed as decrease in [3H]cortisol generation using [3H]cortisone as substra...


Eur J Med Chem 62: 1-10 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.059
BindingDB Entry DOI: 10.7270/Q2GH9K9M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448241
PNG
(CHEMBL3120760)
Show SMILES C[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1cccc(Cl)c1C
Show InChI InChI=1S/C21H29ClN2O3S/c1-12(24-28(26,27)19-5-3-4-18(22)13(19)2)6-20(25)23-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-5,12,14-17,21,24H,6-11H2,1-2H3,(H,23,25)/t12-,14?,15?,16?,17?,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448235
PNG
(CHEMBL3120758)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show InChI InChI=1S/C23H32ClN3O4S/c1-13-17(24)5-4-6-18(13)32(30,31)27-22(2,3)12-19(28)26-20-15-7-14-8-16(20)11-23(9-14,10-15)21(25)29/h4-6,14-16,20,27H,7-12H2,1-3H3,(H2,25,29)(H,26,28)/t14?,15?,16?,20-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448242
PNG
(CHEMBL3120757)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@@](C3)(C2)C(N)=O
Show InChI InChI=1S/C23H32ClN3O4S/c1-13-17(24)5-4-6-18(13)32(30,31)27-22(2,3)12-19(28)26-20-15-7-14-8-16(20)11-23(9-14,10-15)21(25)29/h4-6,14-16,20,27H,7-12H2,1-3H3,(H2,25,29)(H,26,28)/t14?,15?,16?,20-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448238
PNG
(CHEMBL3120754)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C22H31ClN2O3S/c1-13-18(23)5-4-6-19(13)29(27,28)25-22(2,3)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h4-6,14-17,21,25H,7-12H2,1-3H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448244
PNG
(CHEMBL3120751)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCC1
Show InChI InChI=1S/C18H27ClN2O3S/c1-13-15(19)10-7-11-16(13)25(23,24)21-18(2,3)12-17(22)20-14-8-5-4-6-9-14/h7,10-11,14,21H,4-6,8-9,12H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50448240
PNG
(CHEMBL3120761)
Show SMILES C[C@H](CC(=O)NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1cccc(Cl)c1C
Show InChI InChI=1S/C21H29ClN2O3S/c1-12(24-28(26,27)19-5-3-4-18(22)13(19)2)6-20(25)23-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-5,12,14-17,21,24H,6-11H2,1-2H3,(H,23,25)/t12-,14?,15?,16?,17?,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay


Bioorg Med Chem Lett 24: 1421-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.017
BindingDB Entry DOI: 10.7270/Q2BG2QG8
More data for this
Ligand-Target Pair