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28 similar compounds to monomer 50342474

Compile data set for download or QSAR
Wt: 391.4
BDBM77966
Wt: 271.3
BDBM50452967
Wt: 305.3
BDBM50452935
Wt: 255.3
BDBM50452964
Wt: 271.3
BDBM50452940
Wt: 271.3
BDBM50452965
Wt: 329.3
BDBM50342470
Wt: 329.3
BDBM50342471
Wt: 345.8
BDBM50342472
Wt: 345.8
BDBM50342473
Wt: 325.4
BDBM50342475
Wt: 341.4
BDBM50342476
Wt: 341.4
BDBM50342477
Wt: 325.4
BDBM50392355
Wt: 339.4
BDBM50392356
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 77966,50452967,50452935,50452964,50452940,50452965,50342470,50342471,50342472,50342473,50342475,50342476,50342477,50392355,50392356   
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
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM77966
PNG
(1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-...)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-28-20-12-10-18(11-13-20)22-24-23(29-25-22)19-8-5-15-26(16-19)21(27)14-9-17-6-3-2-4-7-17/h2-4,6-7,10-13,19H,5,8-9,14-16H2,1H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342471
PNG
((R)-cyclobutyl(3-(3-(3-fluorophenyl)-1,2,4-oxadiaz...)
Show SMILES Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C18H20FN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2/t14-/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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342472
PNG
((S)-(3-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pi...)
Show SMILES Clc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2/t14-/m0/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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342473
PNG
((R)-(3-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pi...)
Show SMILES Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2/t14-/m1/s1
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n/an/a 3.10E+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))
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392355
PNG
(CHEMBL2151484)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H23N3O2/c1-13-6-5-9-15(10-13)17-20-18(24-21-17)16-11-22(12-16)19(23)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12H2,1H3
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n/an/an/an/a 950n/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392356
PNG
(CHEMBL2151485)
Show SMILES CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C20H25N3O2/c1-13-6-8-15(9-7-13)20(24)23-11-17(12-23)19-21-18(22-25-19)16-5-3-4-14(2)10-16/h3-5,10,13,15,17H,6-9,11-12H2,1-2H3
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n/an/an/an/a 970n/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392355
PNG
(CHEMBL2151484)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H23N3O2/c1-13-6-5-9-15(10-13)17-20-18(24-21-17)16-11-22(12-16)19(23)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12H2,1H3
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Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392356
PNG
(CHEMBL2151485)
Show SMILES CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C20H25N3O2/c1-13-6-8-15(9-7-13)20(24)23-11-17(12-23)19-21-18(22-25-19)16-5-3-4-14(2)10-16/h3-5,10,13,15,17H,6-9,11-12H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
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)
BDBM50452965
PNG
(CHEMBL431892)
Show SMILES Oc1cccc(c1)-c1noc(n1)C1CN2CCC1CC2
Show InChI InChI=1S/C15H17N3O2/c19-12-3-1-2-11(8-12)14-16-15(20-17-14)13-9-18-6-4-10(13)5-7-18/h1-3,8,10,13,19H,4-7,9H2
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n/an/a 81n/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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342470
PNG
((S)-cyclobutyl(3-(3-(3-fluorophenyl)-1,2,4-oxadiaz...)
Show SMILES Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C18H20FN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2/t14-/m0/s1
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n/an/a 2.40E+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