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10 molecules are shown

Compile data set for download or QSAR
Wt: 314.8
BDBM32518
Wt: 328.8
BDBM32519
Wt: 328.8
BDBM32520
Wt: 378.3
BDBM32521
Wt: 326.4
BDBM32522
Wt: 365.4
BDBM32523
Wt: 388.4
BDBM32524
Wt: 396.5
BDBM32525
Wt: 427.7
BDBM32528
Wt: 419.3
BDBM32529

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 32518,32519,32520,32521,32522,32523,32524,32525,32528,32529   
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 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32518
PNG
(pyridine amide, 9)
Show SMILES CC1CCN(CC1)C(=O)c1cccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O/c1-13-9-11-21(12-10-13)18(22)17-8-4-7-16(20-17)14-5-2-3-6-15(14)19/h2-8,13H,9-12H2,1H3
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Article
PubMed
n/an/a 17n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32519
PNG
(pyridine amide, 27)
Show SMILES CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O/c1-19(2)11-6-12-22(13-19)18(23)17-10-5-9-16(21-17)14-7-3-4-8-15(14)20/h3-5,7-10H,6,11-13H2,1-2H3
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Article
PubMed
n/an/a 2.90n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32520
PNG
(pyridine amide, 28)
Show SMILES CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-19(2)11-4-12-22(13-19)18(23)17-6-3-5-16(21-17)14-7-9-15(20)10-8-14/h3,5-10H,4,11-13H2,1-2H3
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Article
PubMed
n/an/a 1.10n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32521
PNG
(pyridine amide, 29)
Show SMILES CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O2/c1-19(2)11-4-12-25(13-19)18(26)17-6-3-5-16(24-17)14-7-9-15(10-8-14)27-20(21,22)23/h3,5-10H,4,11-13H2,1-2H3
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GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32522
PNG
(pyridine amide, 30)
Show SMILES Cc1ccc(cc1F)-c1cccc(n1)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
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Article
PubMed
n/an/a 0.100n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM32518
PNG
(pyridine amide, 9)
Show SMILES CC1CCN(CC1)C(=O)c1cccc(n1)-c1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O/c1-13-9-11-21(12-10-13)18(22)17-8-4-7-16(20-17)14-5-2-3-6-15(14)19/h2-8,13H,9-12H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11-betaHSD1 by biochemical assay


Bioorg Med Chem Lett 24: 5045-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.012
BindingDB Entry DOI: 10.7270/Q28917GR
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32524
PNG
(pyridine amide, 32)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccc(n1)C(=O)N1CCCC2CCCCC12
Show InChI InChI=1S/C22H23F3N2O/c23-22(24,25)17-12-10-15(11-13-17)18-7-3-8-19(26-18)21(28)27-14-4-6-16-5-1-2-9-20(16)27/h3,7-8,10-13,16,20H,1-2,4-6,9,14H2
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n/an/a 3.60n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32525
PNG
(pyridine amide, 33)
Show SMILES O=C(N1CCCC2CCCCC12)c1cccc(n1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H28N2O/c30-27(29-19-9-13-21-12-4-7-18-26(21)29)25-17-8-16-24(28-25)23-15-6-5-14-22(23)20-10-2-1-3-11-20/h1-3,5-6,8,10-11,14-17,21,26H,4,7,9,12-13,18-19H2
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n/an/a 4.70n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32528
PNG
(pyridine amide, 36)
Show SMILES CC1(C)CCCN(C1)C(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H21Cl3N2O2/c1-20(2)7-4-8-25(12-20)19(26)17-6-3-5-14(24-17)11-27-18-15(22)9-13(21)10-16(18)23/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
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n/an/a 6.5n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32529
PNG
(pyridine amide, 37)
Show SMILES Clc1cccc(Cl)c1OCc1cccc(n1)C(=O)N1CCCC2CCCCC12
Show InChI InChI=1S/C22H24Cl2N2O2/c23-17-9-4-10-18(24)21(17)28-14-16-8-3-11-19(25-16)22(27)26-13-5-7-15-6-1-2-12-20(15)26/h3-4,8-11,15,20H,1-2,5-7,12-14H2
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PubMed
n/an/a 4.60n/an/an/an/an/a25



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Homo sapiens (Human))
BDBM32523
PNG
(pyridine amide, 31)
Show SMILES [O-][N+](=O)c1ccccc1-c1cccc(n1)C(=O)N1CCCC2CCCCC12
Show InChI InChI=1S/C21H23N3O3/c25-21(23-14-6-8-15-7-1-3-12-19(15)23)18-11-5-10-17(22-18)16-9-2-4-13-20(16)24(26)27/h2,4-5,9-11,13,15,19H,1,3,6-8,12,14H2
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n/an/a 2n/an/an/an/a6.523



Bristol-Myers Squibb Company



Assay Description
11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH a...


Bioorg Med Chem Lett 18: 3168-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.069
BindingDB Entry DOI: 10.7270/Q2P26WGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)