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18 similar compounds to monomer 50452965

Compile data set for download or QSAR
Wt: 377.4
BDBM41285
Wt: 305.3
BDBM50452938
Wt: 285.3
BDBM50452966
Wt: 271.3
BDBM50452967
Wt: 305.3
BDBM50452935
Wt: 255.3
BDBM50452964
Wt: 271.3
BDBM50452940
Wt: 285.3
BDBM50452968
Wt: 285.3
BDBM50452971
Wt: 325.4
BDBM50342474
Wt: 325.4
BDBM50342475
Wt: 341.4
BDBM50342476
Wt: 341.4
BDBM50342477
Wt: 353.4
BDBM50429307
Wt: 297.3
BDBM50429308
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 41285,50452938,50452966,50452967,50452935,50452964,50452940,50452968,50452971,50342474,50342475,50342476,50342477,50429307,50429308   
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
Cathepsin S


(Homo sapiens (Human))
BDBM41285
PNG
(1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-...)
Show SMILES COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V69H02
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452938
PNG
(CHEMBL288403)
Show SMILES C1CN2CCC1C(C2)c1nc(no1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3O/c1-2-6-15-13(4-1)5-3-7-16(15)18-20-19(23-21-18)17-12-22-10-8-14(17)9-11-22/h1-7,14,17H,8-12H2
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n/an/a 63n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM41285
PNG
(1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-...)
Show SMILES COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342474
PNG
((S)-cyclobutyl(3-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...


Bioorg Med Chem Lett 21: 2711-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.119
BindingDB Entry DOI: 10.7270/Q21C1X6Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342475
PNG
((R)-cyclobutyl(3-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...


Bioorg Med Chem Lett 21: 2711-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.119
BindingDB Entry DOI: 10.7270/Q21C1X6Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342476
PNG
((S)-cyclobutyl(3-(3-(3-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C19H23N3O3/c1-24-16-9-3-7-14(11-16)17-20-18(25-21-17)15-8-4-10-22(12-15)19(23)13-5-2-6-13/h3,7,9,11,13,15H,2,4-6,8,10,12H2,1H3/t15-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...


Bioorg Med Chem Lett 21: 2711-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.119
BindingDB Entry DOI: 10.7270/Q21C1X6Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342477
PNG
((R)-cyclobutyl(3-(3-(3-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C19H23N3O3/c1-24-16-9-3-7-14(11-16)17-20-18(25-21-17)15-8-4-10-22(12-15)19(23)13-5-2-6-13/h3,7,9,11,13,15H,2,4-6,8,10,12H2,1H3/t15-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincu...


Bioorg Med Chem Lett 21: 2711-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.119
BindingDB Entry DOI: 10.7270/Q21C1X6Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50429307
PNG
(CHEMBL2334156)
Show SMILES CC1(C)C(C(=O)N2CCC[C@@H](C2)c2nc(no2)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C21H27N3O2/c1-20(2)16(21(20,3)4)19(25)24-12-8-11-15(13-24)18-22-17(23-26-18)14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3/t15-/m0/s1
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n/an/a 793n/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))
BDBM50429308
PNG
(CHEMBL2334157)
Show SMILES O=C(C1CC1)N1CCC[C@@H](C1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C17H19N3O2/c21-17(13-8-9-13)20-10-4-7-14(11-20)16-18-15(19-22-16)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t14-/m0/s1
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n/an/a 92n/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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452971
PNG
(CHEMBL37890)
Show SMILES COc1ccccc1-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C16H19N3O2/c1-20-14-5-3-2-4-12(14)15-17-16(21-18-15)13-10-19-8-6-11(13)7-9-19/h2-5,11,13H,6-10H2,1H3
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n/an/a 155n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452940
PNG
(CHEMBL36940)
Show SMILES Oc1ccc(cc1)-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C15H17N3O2/c19-12-3-1-11(2-4-12)14-16-15(20-17-14)13-9-18-7-5-10(13)6-8-18/h1-4,10,13,19H,5-9H2
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n/an/a 148n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452967
PNG
(CHEMBL284315)
Show SMILES Oc1ccccc1-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C15H17N3O2/c19-13-4-2-1-3-11(13)14-16-15(20-17-14)12-9-18-7-5-10(12)6-8-18/h1-4,10,12,19H,5-9H2
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n/an/a 42n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452968
PNG
(CHEMBL37922)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C16H19N3O2/c1-20-13-4-2-12(3-5-13)15-17-16(21-18-15)14-10-19-8-6-11(14)7-9-19/h2-5,11,14H,6-10H2,1H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452966
PNG
(CHEMBL37500)
Show SMILES COc1cccc(c1)-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C16H19N3O2/c1-20-13-4-2-3-12(9-13)15-17-16(21-18-15)14-10-19-7-5-11(14)6-8-19/h2-4,9,11,14H,5-8,10H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452964
PNG
(CHEMBL37309)
Show SMILES C1CN2CCC1C(C2)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-4-12(5-3-1)14-16-15(19-17-14)13-10-18-8-6-11(13)7-9-18/h1-5,11,13H,6-10H2
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50452935
PNG
(CHEMBL37093)
Show SMILES C1CN2CCC1C(C2)c1nc(no1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N3O/c1-2-4-15-11-16(6-5-13(15)3-1)18-20-19(23-21-18)17-12-22-9-7-14(17)8-10-22/h1-6,11,14,17H,7-10,12H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM41285
PNG
(1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-...)
Show SMILES COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-27-19-11-5-9-17(14-19)21-23-22(28-24-21)18-10-6-12-25(15-18)20(26)13-16-7-3-2-4-8-16/h2-5,7-9,11,14,18H,6,10,12-13,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair