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273 molecules are shown

Wt: 452.2
BDBM29075
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Wt: 325.5
BDBM29080
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Wt: 299.4
BDBM29083
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Wt: 512.5
BDBM45519
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Wt: 527.5
BDBM50459
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Wt: 391.4
BDBM51557
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Wt: 314.7
BDBM57190
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Wt: 374.3
BDBM61397
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Wt: 440.9
BDBM68292
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Wt: 401.5
BDBM68293
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Wt: 429.4
BDBM68294
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Wt: 420.4
BDBM68295
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Wt: 452.9
BDBM68296
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Wt: 441.5
BDBM68297
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Wt: 424.5
BDBM68298
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<<  First   |  Previous   |  Displayed 16 to 30 (of 273 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 115 hits for monomerid = 29075,29080,29083,45519,50459,51557,57190,61397,68292,68293,68294,68295,68296,68297,68298   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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0.820n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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1 -12.5n/an/a 0.820n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (FABP1)


(Mus musculus (Mouse))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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43n/an/an/an/an/an/an/an/a



Avanti Polar Lipids



Assay Description
The following fluorescent ligand displacement assays at 24 C were used to further confirm and/or determine if the cytosolic lipidic ligand "chaperon...


Biochemistry 55: 5243-55 (2016)


Article DOI: 10.1021/acs.biochem.6b00446
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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1.10E+3 -8.26n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor expressed in COS cells


J Med Chem 49: 2333-8 (2006)


Article DOI: 10.1021/jm051240y
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29083
PNG
(Impulsin | MimyX | Palmidrol | Palmityoletanolamid...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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>5.00E+3>-7.35n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29083
PNG
(Impulsin | MimyX | Palmidrol | Palmityoletanolamid...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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>5.00E+3>-7.35n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB2 receptor expressed in COS cells


J Med Chem 49: 2333-8 (2006)


Article DOI: 10.1021/jm051240y
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Tested for binding affinity to Cannabinoid receptor 1


J Med Chem 42: 896-902 (1999)


Article DOI: 10.1021/jm980461j
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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>1.00E+4>-6.93n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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2.00E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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3.10E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes using 0.8 nM [3H]-CP-55,940 as radioligand


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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4.40E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...


J Med Chem 41: 5353-61 (1999)


Article DOI: 10.1021/jm970257g
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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5.00E+5n/an/an/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase (unknown origin)


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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n/an/an/an/a 3.65E+3n/an/an/an/a



Universita del Piemonte Orientale



Assay Description
The effect of the substances on Ca2+ influx was determined by using HEK-293 cells stably overexpressing recombinant human TRPV1 cDNA. The cells were ...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM29083
PNG
(Impulsin | MimyX | Palmidrol | Palmityoletanolamid...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universita del Piemonte Orientale



Assay Description
The effect of the substances on Ca2+ influx was determined by using HEK-293 cells stably overexpressing recombinant human TRPV1 cDNA. The cells were ...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM45519
PNG
(2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazol...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Show InChI InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32)
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50459
PNG
(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
Show InChI InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
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n/an/a 4.01E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51557
PNG
(2-azanylidene-N,1-dicyclopentyl-5-oxidanylidene-di...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H25N5O2/c23-19-16(21(28)24-14-7-1-2-8-14)13-17-20(27(19)15-9-3-4-10-15)25-18-11-5-6-12-26(18)22(17)29/h5-6,11-15,23H,1-4,7-10H2,(H,24,28)
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n/an/a 2.88E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50459
PNG
(MLS000862518 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
Show InChI InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
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n/an/a 500n/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, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a 9.86E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM45519
PNG
(2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazol...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Show InChI InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 9.40E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61397
PNG
(1-Benzyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-tr...)
Show SMILES CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N
Show InChI InChI=1S/C21H18N4O3/c1-2-28-21(27)15-12-16-19(23-17-10-6-7-11-24(17)20(16)26)25(18(15)22)13-14-8-4-3-5-9-14/h3-12,22H,2,13H2,1H3
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n/an/a 500n/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, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68293
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68294
PNG
(4-(2-ketopyrrolidino)-N-(3-morpholinosulfonylpheny...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68296
PNG
(4-chloranyl-N,N-dimethyl-3-[4-(4-nitrophenyl)piper...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O5S/c1-21(2)30(28,29)16-7-8-18(20)17(13-16)19(25)23-11-9-22(10-12-23)14-3-5-15(6-4-14)24(26)27/h3-8,13H,9-12H2,1-2H3
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68297
PNG
(MLS-0433928.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68298
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O5S2/c1-4-17-13(2)11-18(27-17)19(22)20-15-12-14(5-6-16(15)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68293
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68294
PNG
(4-(2-ketopyrrolidino)-N-(3-morpholinosulfonylpheny...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68296
PNG
(4-chloranyl-N,N-dimethyl-3-[4-(4-nitrophenyl)piper...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O5S/c1-21(2)30(28,29)16-7-8-18(20)17(13-16)19(25)23-11-9-22(10-12-23)14-3-5-15(6-4-14)24(26)27/h3-8,13H,9-12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68297
PNG
(MLS-0433928.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68298
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O5S2/c1-4-17-13(2)11-18(27-17)19(22)20-15-12-14(5-6-16(15)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68293
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68294
PNG
(4-(2-ketopyrrolidino)-N-(3-morpholinosulfonylpheny...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68295
PNG
(MLS-0413566.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(29(23,24)21-6-8-26-9-7-21)11-15(16)20-19(22)13-2-4-17-18(10-13)28-12-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68296
PNG
(4-chloranyl-N,N-dimethyl-3-[4-(4-nitrophenyl)piper...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H21ClN4O5S/c1-21(2)30(28,29)16-7-8-18(20)17(13-16)19(25)23-11-9-22(10-12-23)14-3-5-15(6-4-14)24(26)27/h3-8,13H,9-12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68297
PNG
(MLS-0433928.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
Show InChI InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68298
PNG
(5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phen...)
Show SMILES CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H24N2O5S2/c1-4-17-13(2)11-18(27-17)19(22)20-15-12-14(5-6-16(15)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


Article DOI: 10.1021/bi401043w
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68293
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


Article DOI: 10.1021/bi401043w
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68294
PNG
(4-(2-ketopyrrolidino)-N-(3-morpholinosulfonylpheny...)
Show SMILES O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


Article DOI: 10.1021/bi401043w
More data for this
Ligand-Target Pair
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