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PubChem AID 485287

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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)
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 263n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
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 527n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76062
PNG
(2-(4-chlorophenyl)-7-methyl-4-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1nnc(-c2ccccc2)c2cn(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN4/c1-12-17-16(18(21-20-12)13-5-3-2-4-6-13)11-23(22-17)15-9-7-14(19)8-10-15/h2-11H,1H3
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n/an/a 1.77E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76055
PNG
(3-[1-[oxo-(1-phenylcyclopentyl)methyl]-4-piperidin...)
Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O3/c29-23(25(15-7-8-16-25)20-11-5-2-6-12-20)27-17-13-21(14-18-27)28-24(30)31-22(26-28)19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2
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n/an/a 2.70E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76077
PNG
((4Z)-3-hydroxy-4-[4-phenyl-5-(trifluoromethyl)-1,2...)
Show SMILES Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)15-13(9-4-2-1-3-5-9)14(20-21-15)11-7-6-10(22)8-12(11)23/h1-8,22-23H,(H,20,21)
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n/an/a 2.95E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76069
PNG
(2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7-methyl-py...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O/c1-12-18-17(11-24(23-18)15-7-5-14(20)6-8-15)19(22-21-12)13-3-9-16(25-2)10-4-13/h3-11H,1-2H3
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n/an/a 3.56E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76066
PNG
(4-(3-bromophenyl)-7-methyl-2-phenyl-pyrazolo[3,4-d...)
Show SMILES Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H13BrN4/c1-12-17-16(11-23(22-17)15-8-3-2-4-9-15)18(21-20-12)13-6-5-7-14(19)10-13/h2-11H,1H3
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n/an/a 3.95E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76047
PNG
(1-cyclopentyl-2-imino-5-oxo-N-(phenylmethyl)-3-dip...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H23N5O2/c25-21-18(23(30)26-15-16-8-2-1-3-9-16)14-19-22(29(21)17-10-4-5-11-17)27-20-12-6-7-13-28(20)24(19)31/h1-3,6-9,12-14,17,25H,4-5,10-11,15H2,(H,26,30)
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n/an/a 4.10E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76037
PNG
(MLS-0354783.0001 | [4-(2-methyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)c2cccs2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C20H22N4OS2/c1-13-21-18(17-14-5-2-3-6-15(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)16-7-4-12-26-16/h4,7,12H,2-3,5-6,8-11H2,1H3
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n/an/a 4.13E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76087
PNG
(2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C
Show InChI InChI=1S/C27H21ClN4O4S/c1-16-17(2)31-36-27(16)32-37(34,35)19-13-11-18(12-14-19)29-26(33)22-15-25(21-8-3-5-9-23(21)28)30-24-10-6-4-7-20(22)24/h3-15,32H,1-2H3,(H,29,33)
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n/an/a 4.63E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76064
PNG
(2-(3-bromophenyl)-7-methyl-4-(1-naphthalenyl)pyraz...)
Show SMILES Cc1nnc(-c2cccc3ccccc23)c2cn(nc12)-c1cccc(Br)c1
Show InChI InChI=1S/C22H15BrN4/c1-14-21-20(13-27(26-21)17-9-5-8-16(23)12-17)22(25-24-14)19-11-4-7-15-6-2-3-10-18(15)19/h2-13H,1H3
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n/an/a 5.27E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76080
PNG
((4Z)-4-[4-(4-bromophenyl)-5-methyl-1,2-dihydropyra...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Br)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C16H13BrN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)
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n/an/a 5.40E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76073
PNG
(2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]qu...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H18N4O3S2/c30-24(27-18-10-12-19(13-11-18)34(31,32)29-25-26-14-15-33-25)21-16-23(17-6-2-1-3-7-17)28-22-9-5-4-8-20(21)22/h1-16H,(H,26,29)(H,27,30)
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n/an/a 5.75E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76041
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-pyridylmethyl)di...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H22N6O2/c24-20-17(22(30)26-14-15-6-5-10-25-13-15)12-18-21(29(20)16-7-1-2-8-16)27-19-9-3-4-11-28(19)23(18)31/h3-6,9-13,16,24H,1-2,7-8,14H2,(H,26,30)
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n/an/a 5.85E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76043
PNG
(1-cyclopentyl-2-imino-5-keto-N-methyl-dipyrido[1,2...)
Show SMILES CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C18H19N5O2/c1-20-17(24)12-10-13-16(23(15(12)19)11-6-2-3-7-11)21-14-8-4-5-9-22(14)18(13)25/h4-5,8-11,19H,2-3,6-7H2,1H3,(H,20,24)
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n/an/a 5.92E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76070
PNG
(4-(4-chlorophenyl)-7-methyl-2-(4-methylphenyl)pyra...)
Show SMILES Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4/c1-12-3-9-16(10-4-12)24-11-17-18(23-24)13(2)21-22-19(17)14-5-7-15(20)8-6-14/h3-11H,1-2H3
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n/an/a 6.13E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76063
PNG
(7-methyl-2-(4-methylphenyl)-4-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-13-8-10-16(11-9-13)23-12-17-18(22-23)14(2)20-21-19(17)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 6.89E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76053
PNG
(3-[1-[2-(4-methylphenyl)-1-oxopropyl]-4-piperidiny...)
Show SMILES CC(C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)17(2)22(27)25-14-12-20(13-15-25)26-23(28)29-21(24-26)19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3
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n/an/a 7.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76075
PNG
(2-(2,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfa...)
Show SMILES Cc1ccc(c(C)c1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O3S2/c1-17-7-12-21(18(2)15-17)25-16-23(22-5-3-4-6-24(22)30-25)26(32)29-19-8-10-20(11-9-19)36(33,34)31-27-28-13-14-35-27/h3-16H,1-2H3,(H,28,31)(H,29,32)
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n/an/a 7.70E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76067
PNG
(4-(3-bromophenyl)-2-(4-methoxyphenyl)-7-methyl-pyr...)
Show SMILES COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1
Show InChI InChI=1S/C19H15BrN4O/c1-12-18-17(19(22-21-12)13-4-3-5-14(20)10-13)11-24(23-18)15-6-8-16(25-2)9-7-15/h3-11H,1-2H3
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n/an/a 8.04E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76051
PNG
(2-azanylidene-N,1-dicyclopentyl-8-methyl-5-oxidany...)
Show SMILES Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)27(19)13-14)12-17(22(29)25-15-6-2-3-7-15)20(24)28(21)16-8-4-5-9-16/h10-13,15-16,24H,2-9H2,1H3,(H,25,29)
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n/an/a 8.18E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76032
PNG
(MLS-0437131.0001 | cid_1434957 | cyclohexyl-[4-(2-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)C2CCCCC2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C22H30N4OS/c1-15-23-20(19-17-9-5-6-10-18(17)28-21(19)24-15)25-11-13-26(14-12-25)22(27)16-7-3-2-4-8-16/h16H,2-14H2,1H3
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n/an/a 9.24E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76058
PNG
(3-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-p...)
Show SMILES COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H25N3O4/c1-30-20-9-7-18(8-10-20)24(13-14-24)22(28)26-15-11-19(12-16-26)27-23(29)31-21(25-27)17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3
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n/an/a 9.55E+3n/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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76036
PNG
(MLS-0437135.0001 | cid_3193022 | cyclopropyl-[4-(2...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)C3CC3)c21
Show InChI InChI=1S/C20H26N4OS/c1-12-3-6-15-16(11-12)26-19-17(15)18(21-13(2)22-19)23-7-9-24(10-8-23)20(25)14-4-5-14/h12,14H,3-11H2,1-2H3
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n/an/a 1.06E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
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/a 1.09E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76090
PNG
(2-[4-(4-tert-butylphenyl)-5-phenyl-1,2-dihydropyra...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(n[nH]c1-c1ccccc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H22N4/c1-26(2,3)19-15-13-17(14-16-19)22-23(18-9-5-4-6-10-18)29-30-24(22)25-27-20-11-7-8-12-21(20)28-25/h4-16H,1-3H3
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n/an/a 1.17E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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n/an/a 1.30E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76038
PNG
(2-(2-methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahy...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)COc2ccccc2C)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C24H28N4O2S/c1-16-7-3-5-9-19(16)30-15-21(29)27-11-13-28(14-12-27)23-22-18-8-4-6-10-20(18)31-24(22)26-17(2)25-23/h3,5,7,9H,4,6,8,10-15H2,1-2H3
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n/an/a 1.31E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
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/a 1.34E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76085
PNG
(MLS-0226099.0001 | N-[4-[(4,6-dimethyl-2-pyrimidin...)
Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1
Show InChI InChI=1S/C28H23N5O3S/c1-18-16-19(2)30-28(29-18)33-37(35,36)22-14-12-21(13-15-22)31-27(34)24-17-26(20-8-4-3-5-9-20)32-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,31,34)(H,29,30,33)
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n/an/a 1.37E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76082
PNG
((6Z)-3-ethoxy-6-[4-(4-methoxyphenyl)-5-methyl-1,2-...)
Show SMILES CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
Show InChI InChI=1S/C19H20N2O3/c1-4-24-15-9-10-16(17(22)11-15)19-18(12(2)20-21-19)13-5-7-14(23-3)8-6-13/h5-11,22H,4H2,1-3H3,(H,20,21)
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n/an/a 1.56E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76060
PNG
(3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidin...)
Show SMILES O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O3/c27-21(23(13-14-23)18-9-5-2-6-10-18)25-15-11-19(12-16-25)26-22(28)29-20(24-26)17-7-3-1-4-8-17/h1-10,19H,11-16H2
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n/an/a 1.74E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76088
PNG
(MLS-0295640.0001 | N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
Show InChI InChI=1S/C28H24N4O5S/c1-17-18(2)31-37-28(17)32-38(34,35)22-14-10-20(11-15-22)29-27(33)24-16-26(19-8-12-21(36-3)13-9-19)30-25-7-5-4-6-23(24)25/h4-16,32H,1-3H3,(H,29,33)
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n/an/a 1.82E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76081
PNG
((6Z)-3-ethoxy-6-(5-methyl-4-phenyl-1,2-dihydropyra...)
Show SMILES CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
Show InChI InChI=1S/C18H18N2O2/c1-3-22-14-9-10-15(16(21)11-14)18-17(12(2)19-20-18)13-7-5-4-6-8-13/h4-11,21H,3H2,1-2H3,(H,19,20)
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n/an/a 1.84E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76061
PNG
(4-(4-chlorophenyl)-7-methyl-2-phenyl-pyrazolo[3,4-...)
Show SMILES Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c1-12-17-16(11-23(22-17)15-5-3-2-4-6-15)18(21-20-12)13-7-9-14(19)10-8-13/h2-11H,1H3
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n/an/a 1.92E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76083
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C22H24ClN3O3/c1-15-21(16-2-4-17(23)5-3-16)22(25-24-15)19-7-6-18(14-20(19)27)29-13-10-26-8-11-28-12-9-26/h2-7,14,27H,8-13H2,1H3,(H,24,25)
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n/an/a 1.92E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76039
PNG
(2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-methyl-5,6,...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C24H26N4O3S/c1-15-25-22(21-17-4-2-3-5-20(17)32-23(21)26-15)27-8-10-28(11-9-27)24(29)16-6-7-18-19(14-16)31-13-12-30-18/h6-7,14H,2-5,8-13H2,1H3
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n/an/a 2.14E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76035
PNG
(MLS-0437134.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21
Show InChI InChI=1S/C23H26N4OS/c1-15-8-9-18-19(14-15)29-22-20(18)21(24-16(2)25-22)26-10-12-27(13-11-26)23(28)17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
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n/an/a 2.15E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76091
PNG
(2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benz...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3
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n/an/a 2.27E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76046
PNG
(1-cyclopentyl-N-(2-furanylmethyl)-2-imino-5-oxo-3-...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccco1
Show InChI InChI=1S/C22H21N5O3/c23-19-16(21(28)24-13-15-8-5-11-30-15)12-17-20(27(19)14-6-1-2-7-14)25-18-9-3-4-10-26(18)22(17)29/h3-5,8-12,14,23H,1-2,6-7,13H2,(H,24,28)
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n/an/a 2.83E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76050
PNG
(2-azanylidene-N-cyclohexyl-1-cyclopentyl-5-oxidany...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H27N5O2/c24-20-17(22(29)25-15-8-2-1-3-9-15)14-18-21(28(20)16-10-4-5-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)
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n/an/a 2.90E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76076
PNG
(MLS-0437218.0001 | N-[4-(1,3-thiazol-2-ylsulfamoyl...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76044
PNG
(1-cyclopentyl-N-ethyl-2-imino-5-keto-dipyrido[1,2-...)
Show SMILES CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C19H21N5O2/c1-2-21-18(25)13-11-14-17(24(16(13)20)12-7-3-4-8-12)22-15-9-5-6-10-23(15)19(14)26/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
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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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76089
PNG
(MLS-0437224.0001 | [4-(2-methyl-5,6,7,8-tetrahydro...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)C2CCCO2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C20H26N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h15H,2-12H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76048
PNG
(1-cyclopentyl-2-imino-5-keto-N-(2-morpholinoethyl)...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H28N6O3/c24-20-17(22(30)25-8-10-27-11-13-32-14-12-27)15-18-21(29(20)16-5-1-2-6-16)26-19-7-3-4-9-28(19)23(18)31/h3-4,7,9,15-16,24H,1-2,5-6,8,10-14H2,(H,25,30)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76049
PNG
(1-cyclopentyl-2-imino-5-keto-N-phenethyl-dipyrido[...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H25N5O2/c26-22-19(24(31)27-14-13-17-8-2-1-3-9-17)16-20-23(30(22)18-10-4-5-11-18)28-21-12-6-7-15-29(21)25(20)32/h1-3,6-9,12,15-16,18,26H,4-5,10-11,13-14H2,(H,27,31)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
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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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76084
PNG
((6Z)-6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropy...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O
Show InChI InChI=1S/C23H27N3O4/c1-16-22(17-3-5-18(28-2)6-4-17)23(25-24-16)20-8-7-19(15-21(20)27)30-14-11-26-9-12-29-13-10-26/h3-8,15,27H,9-14H2,1-2H3,(H,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76059
PNG
(3-[1-[2-(4-ethoxyphenyl)-1-oxoethyl]-4-piperidinyl...)
Show SMILES CCOc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C23H25N3O4/c1-2-29-20-10-8-17(9-11-20)16-21(27)25-14-12-19(13-15-25)26-23(28)30-22(24-26)18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76078
PNG
(MLS-0205133.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S/c1-3-29(4-2)33(31,32)21-16-14-20(15-17-21)27-26(30)23-18-25(19-10-6-5-7-11-19)28-24-13-9-8-12-22(23)24/h5-18H,3-4H2,1-2H3,(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76040
PNG
((1,2-dimethyl-5-benzimidazolyl)-[4-(2,7-dimethyl-5...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccc4n(C)c(C)nc4c3)c21
Show InChI InChI=1S/C26H30N6OS/c1-15-5-7-19-22(13-15)34-25-23(19)24(27-16(2)28-25)31-9-11-32(12-10-31)26(33)18-6-8-21-20(14-18)29-17(3)30(21)4/h6,8,14-15H,5,7,9-13H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76042
PNG
(MLS-0437140.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21
Show InChI InChI=1S/C22H25N5OS/c1-14-3-4-17-18(13-14)29-21-19(17)20(24-15(2)25-21)26-9-11-27(12-10-26)22(28)16-5-7-23-8-6-16/h5-8,14H,3-4,9-13H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76045
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-methoxypropyl)di...)
Show SMILES COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C21H25N5O3/c1-29-12-6-10-23-20(27)15-13-16-19(26(18(15)22)14-7-2-3-8-14)24-17-9-4-5-11-25(17)21(16)28/h4-5,9,11,13-14,22H,2-3,6-8,10,12H2,1H3,(H,23,27)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76057
PNG
(3-[1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-4-piper...)
Show SMILES O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O5/c26-20(13-15-6-7-18-19(12-15)29-14-28-18)24-10-8-17(9-11-24)25-22(27)30-21(23-25)16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76071
PNG
(7-methyl-2,4-bis(4-methylphenyl)pyrazolo[3,4-d]pyr...)
Show SMILES Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H18N4/c1-13-4-8-16(9-5-13)20-18-12-24(17-10-6-14(2)7-11-17)23-19(18)15(3)21-22-20/h4-12H,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76065
PNG
(2-(4-methoxyphenyl)-7-methyl-4-(4-phenylphenyl)pyr...)
Show SMILES COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O/c1-17-24-23(16-29(28-24)21-12-14-22(30-2)15-13-21)25(27-26-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76072
PNG
(4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyr...)
Show SMILES COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76074
PNG
(1-cyclopentyl-2-imino-5-oxo-N-propan-2-yl-3-dipyri...)
Show SMILES CC(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C20H23N5O2/c1-12(2)22-19(26)14-11-15-18(25(17(14)21)13-7-3-4-8-13)23-16-9-5-6-10-24(16)20(15)27/h5-6,9-13,21H,3-4,7-8H2,1-2H3,(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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76079
PNG
(6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyri...)
Show SMILES Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1
Show InChI InChI=1S/C26H24N4O4S/c1-18-5-10-23-21(16-18)22(17-25(29-23)24-4-2-3-11-27-24)26(31)28-19-6-8-20(9-7-19)35(32,33)30-12-14-34-15-13-30/h2-11,16-17H,12-15H2,1H3,(H,28,31)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50683
PNG
(2-(4-pyridyl)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]c...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C24H17N5O3S2/c30-23(27-17-5-7-18(8-6-17)34(31,32)29-24-26-13-14-33-24)20-15-22(16-9-11-25-12-10-16)28-21-4-2-1-3-19(20)21/h1-15H,(H,26,29)(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76054
PNG
(3-[1-[2-(2-fluorophenyl)-1-oxoethyl]-4-piperidinyl...)
Show SMILES Fc1ccccc1CC(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C21H20FN3O3/c22-18-9-5-4-8-16(18)14-19(26)24-12-10-17(11-13-24)25-21(27)28-20(23-25)15-6-2-1-3-7-15/h1-9,17H,10-14H2
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76034
PNG
(2-(3-methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahy...)
Show SMILES Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1
Show InChI InChI=1S/C24H28N4O2S/c1-16-6-5-7-18(14-16)30-15-21(29)27-10-12-28(13-11-27)23-22-19-8-3-4-9-20(19)31-24(22)26-17(2)25-23/h5-7,14H,3-4,8-13,15H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76056
PNG
(3-[1-[2-(4-fluorophenyl)-1-oxoethyl]-4-piperidinyl...)
Show SMILES Fc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20FN3O3/c22-17-8-6-15(7-9-17)14-19(26)24-12-10-18(11-13-24)25-21(27)28-20(23-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2
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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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76068
PNG
(7-methyl-2-phenyl-4-(p-tolyl)pyrazolo[3,4-d]pyrida...)
Show SMILES Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-13-8-10-15(11-9-13)19-17-12-23(16-6-4-3-5-7-16)22-18(17)14(2)20-21-19/h3-12H,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)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM76086
PNG
(2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)p...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c2ccccc2n1
Show InChI InChI=1S/C27H21N5O4S/c1-36-20-11-7-18(8-12-20)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-19-9-13-21(14-10-19)37(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%