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5 similar compounds to monomer 50222932

Compile data set for download or QSAR
Wt: 504.9
BDBM50189691
Wt: 324.3
BDBM50222926
Wt: 283.3
BDBM50222925
Wt: 268.3
BDBM50222931

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50189691,50222926,50222925,50222931   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50189691
PNG
(CHEMBL3828133)
Show SMILES CCCCOC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C25H26ClFN2O6/c1-3-4-11-33-25(32)29(14-23(30)31)13-18-12-20(9-10-21(18)27)34-15-22-16(2)35-24(28-22)17-5-7-19(26)8-6-17/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.24E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged human PPAR-gamma expressed in HEK cells by transactivation assay


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50189691
PNG
(CHEMBL3828133)
Show SMILES CCCCOC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C25H26ClFN2O6/c1-3-4-11-33-25(32)29(14-23(30)31)13-18-12-20(9-10-21(18)27)34-15-22-16(2)35-24(28-22)17-5-7-19(26)8-6-17/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 2.80n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-tagged human PPAR-alpha expressed in HEK cells by transactivation assay


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of T-cell proliferation was determined by a human T-cell assay


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair