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Compile Data Set for Download or QSAR

Found 738 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 55' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 55


(Homo sapiens)
BDBM50398218
PNG
(CHEMBL2181542)
Show SMILES CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C26H32O4/c1-4-5-6-7-10-13-26(2,3)20-16-23(28)21-15-19(25(29)30-24(21)17-20)14-18-11-8-9-12-22(18)27/h8-9,11-12,15-17,27-28H,4-7,10,13-14H2,1-3H3
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


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


(Homo sapiens)
BDBM50398220
PNG
(CHEMBL2181540)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C25H30O4/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,26-27H,4-6,9,12-13H2,1-3H3
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


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


(Homo sapiens)
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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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM50398222
PNG
(CHEMBL2177264)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


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


(Homo sapiens)
BDBM50151367
PNG
(CHEMBL3774473)
Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1cccnc1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C22H22N4O3/c27-20(22(10-11-22)17-6-2-1-3-7-17)25-13-8-18(9-14-25)26-21(28)29-19(24-26)16-5-4-12-23-15-16/h1-7,12,15,18H,8-11,13-14H2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tag...


Bioorg Med Chem Lett 26: 1827-30 (2016)

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


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

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


(Homo sapiens)
BDBM48878
PNG
(4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]methylene}-2...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1
Show InChI InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61568
PNG
((5Z)-1-(2,5-dimethoxyphenyl)-5-[(2-methyl-1H-indol...)
Show SMILES COc1ccc(OC)c(c1)N1C(=O)NC(=O)C(=Cc2c(C)[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C22H19N3O5/c1-12-15(14-6-4-5-7-17(14)23-12)11-16-20(26)24-22(28)25(21(16)27)18-10-13(29-2)8-9-19(18)30-3/h4-11,23H,1-3H3,(H,24,26,28)/b16-11-
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM57502
PNG
((5Z)-2-azanylidene-3-(2-fluorophenyl)-5-[[5-(4-flu...)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1ccccc1F
Show InChI InChI=1S/C19H12F2N4OS/c20-13-7-5-11(6-8-13)17-12(10-23-24-17)9-16-18(26)25(19(22)27-16)15-4-2-1-3-14(15)21/h1-10,22H,(H,23,24)
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61507
PNG
((Z)-2-(Morpholine-4-carbonyl)-3-[1-phenyl-3-(4-pro...)
Show SMILES CCCSc1ccc(cc1)-c1nn(cc1\C=C(\C#N)C(=O)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2S/c1-2-16-33-24-10-8-20(9-11-24)25-22(19-30(28-25)23-6-4-3-5-7-23)17-21(18-27)26(31)29-12-14-32-15-13-29/h3-11,17,19H,2,12-16H2,1H3/b21-17-
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61510
PNG
(4,5-dimethyl-2-[[6-methyl-4-(p-tolyl)-2-thioxo-3,4...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(NC(=S)N=C1C)c1ccc(C)cc1
Show InChI InChI=1S/C22H25N3O3S2/c1-6-28-21(27)16-12(3)14(5)30-20(16)25-19(26)17-13(4)23-22(29)24-18(17)15-9-7-11(2)8-10-15/h7-10,17-18H,6H2,1-5H3,(H,24,29)(H,25,26)
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61514
PNG
(2-[3-(2,6-dimethylphenyl)-4-keto-5-(4-pyridylmethy...)
Show SMILES Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1c(C)cccc1C
Show InChI InChI=1S/C29H22N4O2S/c1-17-7-6-8-18(2)26(17)33-28(35)24(15-20-11-13-31-14-12-20)36-29(33)22(16-30)27(34)25-19(3)32-23-10-5-4-9-21(23)25/h4-15,32H,1-3H3/b24-15-,29-22-
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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
G-protein coupled receptor 55


(Homo sapiens)
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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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM57891
PNG
(4-[3-[(3-chloro-4-methoxy-phenyl)carbamoyl]-7-keto...)
Show SMILES COc1ccc(NC(=O)c2c[nH]n3c2nc(cc3=O)C2CCN(CC2)C(=O)OC(C)(C)C)cc1Cl
Show InChI InChI=1S/C24H28ClN5O5/c1-24(2,3)35-23(33)29-9-7-14(8-10-29)18-12-20(31)30-21(28-18)16(13-26-30)22(32)27-15-5-6-19(34-4)17(25)11-15/h5-6,11-14,26H,7-10H2,1-4H3,(H,27,32)
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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
G-protein coupled receptor 55


(Homo sapiens)
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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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61442
PNG
(2-(dibenzylamino)-4-(dimethylamino)nicotinonitrile...)
Show SMILES CN(C)c1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1C#N
Show InChI InChI=1S/C22H22N4/c1-25(2)21-13-14-24-22(20(21)15-23)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

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


(Homo sapiens)
BDBM61535
PNG
(MLS000717682 | SMR000287487 | [4-(2,7-dimethyl-5,6...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccco3)c21
Show InChI InChI=1S/C21H24N4O2S/c1-13-5-6-15-17(12-13)28-20-18(15)19(22-14(2)23-20)24-7-9-25(10-8-24)21(26)16-4-3-11-27-16/h3-4,11,13H,5-10,12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

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


(Homo sapiens)
BDBM61452
PNG
((5E)-1-allyl-5-[[4-(4-pyridylmethyl)anilino]methyl...)
Show SMILES C=CCN1C(=S)NC(=O)C(=CNc2ccc(Cc3ccncc3)cc2)C1=O
Show InChI InChI=1S/C20H18N4O2S/c1-2-11-24-19(26)17(18(25)23-20(24)27)13-22-16-5-3-14(4-6-16)12-15-7-9-21-10-8-15/h2-10,13,22H,1,11-12H2,(H,23,25,27)
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61479
PNG
(4-butyl-4-(3-nitrobenzyl)-1,2-diphenyl-3,5-pyrazol...)
Show SMILES CCCCC1(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O4/c1-2-3-17-26(19-20-11-10-16-23(18-20)29(32)33)24(30)27(21-12-6-4-7-13-21)28(25(26)31)22-14-8-5-9-15-22/h4-16,18H,2-3,17,19H2,1H3
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61420
PNG
(4,5-diphenyl-2-(1-pyrrolidinylmethylideneamino)-3-...)
Show SMILES N#Cc1c(N=CN2CCCC2)oc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c23-15-19-20(17-9-3-1-4-10-17)21(18-11-5-2-6-12-18)26-22(19)24-16-25-13-7-8-14-25/h1-6,9-12,16H,7-8,13-14H2
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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
G-protein coupled receptor 55


(Homo sapiens)
BDBM48082
PNG
((4,5-Diphenyl-1H-imidazol-2-yl)-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)
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n/an/a 587n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61492
PNG
(2-phenyl-2-(phenylthio)-N-[4-(sec-butylsulfamoyl)p...)
Show SMILES CCC(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H26N2O3S2/c1-3-18(2)26-31(28,29)22-16-14-20(15-17-22)25-24(27)23(19-10-6-4-7-11-19)30-21-12-8-5-9-13-21/h4-18,23,26H,3H2,1-2H3,(H,25,27)
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n/an/a 592n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61505
PNG
(5-(4-Chloro-phenyl)-furan-2-carboxylic acid adaman...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H22ClNO2/c22-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15H,7-12H2,(H,23,24)
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n/an/a 598n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM44616
PNG
(3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-d...)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN5O2/c1-27-21-20(22(31)30(24(27)32)14-5-9-17-7-3-2-4-8-17)29-16-6-15-28(23(29)26-21)19-12-10-18(25)11-13-19/h2-5,7-13H,6,14-16H2,1H3/b9-5+
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n/an/a 624n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61592
PNG
(3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pi...)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
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n/an/a 640n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tag...


Bioorg Med Chem Lett 26: 1827-30 (2016)

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


(Homo sapiens)
BDBM61562
PNG
((5Z)-3-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methyle...)
Show SMILES CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O
Show InChI InChI=1S/C14H11N3OS2/c1-17-13(18)11(20-14(17)19)7-10-8-15-16-12(10)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)/b11-7-
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n/an/a 653n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61535
PNG
(MLS000717682 | SMR000287487 | [4-(2,7-dimethyl-5,6...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccco3)c21
Show InChI InChI=1S/C21H24N4O2S/c1-13-5-6-15-17(12-13)28-20-18(15)19(22-14(2)23-20)24-7-9-25(10-8-24)21(26)16-4-3-11-27-16/h3-4,11,13H,5-10,12H2,1-2H3
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n/an/a 653n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61571
PNG
(3-(5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-py...)
Show SMILES COc1ccc(-c2nn(cc2\C=C2\SC(=S)N(CCC(O)=O)C2=O)-c2ccccc2)c(C)c1
Show InChI InChI=1S/C24H21N3O4S2/c1-15-12-18(31-2)8-9-19(15)22-16(14-27(25-22)17-6-4-3-5-7-17)13-20-23(30)26(24(32)33-20)11-10-21(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,28,29)/b20-13+
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n/an/a 665n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61412
PNG
(MLS000085438 | SMR000015838 | cid_3243007)
Show SMILES COc1cc(ccc1O)C1C2C3CCC(C3)C2Sc2[nH]c(=O)sc12
Show InChI InChI=1S/C18H19NO3S2/c1-22-12-7-9(4-5-11(12)20)14-13-8-2-3-10(6-8)15(13)23-17-16(14)24-18(21)19-17/h4-5,7-8,10,13-15,20H,2-3,6H2,1H3,(H,19,21)
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n/an/a 672n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61488
PNG
(MLS000577269 | N-[4-(tert-butylsulfamoyl)phenyl]-2...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H26N2O3S2/c1-24(2,3)26-31(28,29)21-16-14-19(15-17-21)25-23(27)22(18-10-6-4-7-11-18)30-20-12-8-5-9-13-20/h4-17,22,26H,1-3H3,(H,25,27)
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n/an/a 678n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61592
PNG
(3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pi...)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
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n/an/a 680n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61536
PNG
(2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-...)
Show SMILES CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H16ClNO2/c1-13(2,3)11(16)10(14)12(17)15-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,17)
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n/an/a 696n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM47358
PNG
(MLS001005680 | N,N-dimethyl-4-[(E)-2-(4-phenyl-3-b...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1
Show InChI InChI=1S/C29H25N2/c1-30(2)24-16-12-22(13-17-24)14-18-26-19-20-28-27-11-7-6-8-23(27)15-21-29(28)31(26)25-9-4-3-5-10-25/h3-21H,1-2H3/q+1
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n/an/a 699n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61599
PNG
(4-(2,3-dihydroindol-1-ylsulfonyl)-N,1-dimethyl-N-(...)
Show SMILES CN(C(=O)c1cc(cn1C)S(=O)(=O)N1CCc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C22H23N3O3S/c1-16-8-10-18(11-9-16)24(3)22(26)21-14-19(15-23(21)2)29(27,28)25-13-12-17-6-4-5-7-20(17)25/h4-11,14-15H,12-13H2,1-3H3
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n/an/a 769n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM50152128
PNG
(CHEMBL3775187)
Show SMILES Cc1ccc(cc1)C1(CC1(C)C)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1/C26H29N3O3/c1-18-9-11-20(12-10-18)26(17-25(26,2)3)23(30)28-15-13-21(14-16-28)29-24(31)32-22(27-29)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3
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n/an/a 770n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tag...


Bioorg Med Chem Lett 26: 1827-30 (2016)

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


(Homo sapiens)
BDBM61516
PNG
(1-(N-phenylanilino)-3-(4-propan-2-ylphenyl)thioure...)
Show SMILES CC(C)c1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H23N3S/c1-17(2)18-13-15-19(16-14-18)23-22(26)24-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3,(H2,23,24,26)
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n/an/a 793n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61476
PNG
(MLS000579709 | SMR000186439 | [2-[1-(dimethylamino...)
Show SMILES CC(N(C)C)c1ccccc1C(O)(c1ccccc1)c1ccc(C)cc1C
Show InChI InChI=1S/C25H29NO/c1-18-15-16-23(19(2)17-18)25(27,21-11-7-6-8-12-21)24-14-10-9-13-22(24)20(3)26(4)5/h6-17,20,27H,1-5H3
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n/an/a 799n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM51173
PNG
((5E)-5-[(2E)-2-(1-ethyl-3,3-dimethyl-2-indolyliden...)
Show SMILES CCCN1C(=S)S\C(=C\C=C2\N(CC)c3ccccc3C2(C)C)C1=O
Show InChI InChI=1S/C20H24N2OS2/c1-5-13-22-18(23)16(25-19(22)24)11-12-17-20(3,4)14-9-7-8-10-15(14)21(17)6-2/h7-12H,5-6,13H2,1-4H3/b16-11+,17-12+
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n/an/a 824n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61600
PNG
(5-chloranyl-2-methoxy-N-[(2-morpholin-4-ylphenyl)c...)
Show SMILES COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C19H20ClN3O3S/c1-25-17-7-6-13(20)12-14(17)18(24)22-19(27)21-15-4-2-3-5-16(15)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27)
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n/an/a 825n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM60247
PNG
(2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methy...)
Show SMILES CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
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n/an/a 847n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM50398216
PNG
(CHEMBL2181544)
Show SMILES CCCCC1(CCCC1)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C25H28O4/c1-2-3-10-25(11-6-7-12-25)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-8-4-5-9-21(17)26/h4-5,8-9,14-16,26-27H,2-3,6-7,10-13H2,1H3
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PubMed
n/an/a 854n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


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


(Homo sapiens)
BDBM61475
PNG
(MLS000579674 | N-(3-aminocarbonyl-4,5-dimethyl-thi...)
Show SMILES Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(N)=O)c1C
Show InChI InChI=1S/C24H21N3O2S/c1-13-7-6-8-16(11-13)20-12-18(17-9-4-5-10-19(17)26-20)23(29)27-24-21(22(25)28)14(2)15(3)30-24/h4-12H,1-3H3,(H2,25,28)(H,27,29)
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n/an/a 869n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61446
PNG
(MLS000523003 | N-(6-chloranyl-1,3-benzothiazol-2-y...)
Show SMILES CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H19ClN4O3S3/c1-10(2)18(19(26)24-20-23-15-6-4-12(21)8-16(15)30-20)25-31(27,28)13-5-7-14-17(9-13)29-11(3)22-14/h4-10,18,25H,1-3H3,(H,23,24,26)
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n/an/a 894n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61483
PNG
(3-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-(4-flu...)
Show SMILES COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H18ClFN2O5S2/c1-24(31(27,28)17-9-3-14(21)4-10-17)19-13-18(11-12-20(19)29-2)30(25,26)23-16-7-5-15(22)6-8-16/h3-13,23H,1-2H3
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n/an/a 908n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61400
PNG
(BISACODYL | MLS000069729 | SMR000058226 | cid_2391)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1
Show InChI InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
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n/an/a 908n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM57344
PNG
(4-(3-bromophenyl)-2-(4-bromophenyl)-7-methyl-2H-py...)
Show SMILES Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H12Br2N4/c1-11-17-16(10-24(23-17)15-7-5-13(19)6-8-15)18(22-21-11)12-3-2-4-14(20)9-12/h2-10H,1H3
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n/an/a 915n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM50398215
PNG
(CHEMBL2181546)
Show SMILES CCCCC1(CCCCC1)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C26H30O4/c1-2-3-11-26(12-7-4-8-13-26)20-16-23(28)21-15-19(25(29)30-24(21)17-20)14-18-9-5-6-10-22(18)27/h5-6,9-10,15-17,27-28H,2-4,7-8,11-14H2,1H3
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Article
PubMed
n/an/a 961n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


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


(Homo sapiens)
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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n/an/a 965n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM61529
PNG
(2-(1-adamantyl)-N-(2-furfurylthiocarbamoyl)acetami...)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NCc1ccco1
Show InChI InChI=1S/C18H24N2O2S/c21-16(20-17(23)19-11-15-2-1-3-22-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H2,19,20,21,23)
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n/an/a 969n/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
G-protein coupled receptor 55


(Homo sapiens)
BDBM32877
PNG
((5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)me...)
Show SMILES Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C17H14ClN3O3/c1-20-8-4-6-12(20)9-13-15(22)19-17(24)21(16(13)23)10-11-5-2-3-7-14(11)18/h2-9H,10H2,1H3,(H,19,22,24)/b13-9+
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n/an/a 978n/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
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