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PubChem AID 2338

Compile data set for download or QSAR
Found 21 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 35


(Homo sapiens)
BDBM61143
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino...)
Show SMILES CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccco1
Show InChI InChI=1S/C20H27N9O3/c1-4-8-28(9-5-2)13-16-17(23-27-29(16)19-18(21)25-32-26-19)20(30)24-22-12-14(3)11-15-7-6-10-31-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,21,25)(H,24,30)/b14-11-,22-12?
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n/an/a 2.44E+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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61136
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino...)
Show SMILES CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1
Show InChI InChI=1S/C22H29N9O2/c1-4-11-30(12-5-2)15-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-14-16(3)13-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,27)(H,26,32)/b16-13-,24-14?
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61041
PNG
(4-phenyl-N-[[4-(propan-2-ylsulfamoyl)anilino]-sulf...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3S2/c1-16(2)26-31(28,29)21-14-12-20(13-15-21)24-23(30)25-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16,26H,1-2H3,(H2,24,25,27,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61037
PNG
(2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(trifluorom...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C22H13F3N2OS3/c23-22(24,25)13-9-10-19-16(11-13)27(15-6-2-4-8-18(15)30-19)20(28)12-29-21-26-14-5-1-3-7-17(14)31-21/h1-11H,12H2
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61049
PNG
(MLS000569095 | N-[4-(4-Fluoro-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
Show InChI InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61033
PNG
((E)-3-(2-methoxyphenyl)-N-[[4-[methyl(phenyl)sulfa...)
Show SMILES COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61147
PNG
(MLS001079048 | N-(2-isopropoxy-5-morpholinosulfony...)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61031
PNG
(MLS000540201 | N,N-diallyl-4-({[([1,1'-bipheny...)
Show SMILES C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S2/c1-3-18-29(19-4-2)34(31,32)24-16-14-23(15-17-24)27-26(33)28-25(30)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-17H,1-2,18-19H2,(H2,27,28,30,33)
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM62390
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
Show InChI InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61074
PNG
(2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-...)
Show SMILES CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H20ClN3O4S3/c1-13(29-20-23-17-11-14(21)5-6-18(17)30-20)19(25)22-15-3-2-4-16(12-15)31(26,27)24-7-9-28-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,22,25)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61131
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino...)
Show SMILES CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N10O2/c1-3-9-30(10-4-2)13-17-18(25-29-31(17)20-19(22)27-33-28-20)21(32)26-24-12-14-11-23-16-8-6-5-7-15(14)16/h5-8,11-12,23H,3-4,9-10,13H2,1-2H3,(H2,22,27)(H,26,32)/b24-12+
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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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61132
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[(Z)-2-methyl-...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C\C(C)=C/c2ccccc2)CC1
Show InChI InChI=1S/C22H27N9O2/c1-15-8-10-30(11-9-15)14-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-13-16(2)12-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,23,27)(H,26,32)/b16-12-,24-13?
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM62389
PNG
(MLS-0425688.0001 | N-[4-(4-methoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5O2S2/c1-14-11-16-5-3-4-6-19(16)28-21(14)26-27-23(28)32-13-20(29)25-22-24-18(12-31-22)15-7-9-17(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,25,29)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61043
PNG
(10-[(1,3-benzothiazol-2-ylthio)acetyl]-2-chloro-10...)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C21H13ClN2OS3/c22-13-9-10-19-16(11-13)24(15-6-2-4-8-18(15)27-19)20(25)12-26-21-23-14-5-1-3-7-17(14)28-21/h1-11H,12H2
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61054
PNG
(MLS000579482 | N-(2-methoxy-3-dibenzofuranyl)-2-(p...)
Show SMILES COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc21
Show InChI InChI=1S/C21H17NO3S/c1-24-20-11-16-15-9-5-6-10-18(15)25-19(16)12-17(20)22-21(23)13-26-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61075
PNG
(3-methyl-N-(4-phenylmethoxyphenyl)-2-butenamide | ...)
Show SMILES CC(C)=CC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H19NO2/c1-14(2)12-18(20)19-16-8-10-17(11-9-16)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,19,20)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61085
PNG
(2-methyl-N-(4-phenylmethoxyphenyl)-3-furancarboxam...)
Show SMILES Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO3/c1-14-18(11-12-22-14)19(21)20-16-7-9-17(10-8-16)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM61068
PNG
(2-(4-acetamidophenyl)sulfanyl-N-(2-methoxydibenzof...)
Show SMILES COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21
Show InChI InChI=1S/C24H22N2O4S/c1-14(31-17-10-8-16(9-11-17)25-15(2)27)24(28)26-20-13-22-19(12-23(20)29-3)18-6-4-5-7-21(18)30-22/h4-14H,1-3H3,(H,25,27)(H,26,28)
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PCBioAssay
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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
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Ligand-Target Pair
* indicates data uncertainty>20%