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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 4281   
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 (Human))
BDBM31041
PNG
(3-Bromo-4-chloro-7-diethylamino-chromen-2-one | 3-...)
Show SMILES CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
Show InChI InChI=1S/C13H13BrClNO2/c1-3-16(4-2)8-5-6-9-10(7-8)18-13(17)11(14)12(9)15/h5-7H,3-4H2,1-2H3
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61655
PNG
(4-[4-[(5Z)-4-keto-5-m-anisylidene-2-thioxo-thiazol...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C22H20N2O5S2/c1-29-17-5-2-4-14(12-17)13-18-20(26)24(22(30)31-18)11-3-6-19(25)23-16-9-7-15(8-10-16)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-13-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM58651
PNG
(4-[4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H22N2O4S2/c1-2-15-5-7-16(8-6-15)14-19-21(27)25(23(30)31-19)13-3-4-20(26)24-18-11-9-17(10-12-18)22(28)29/h5-12,14H,2-4,13H2,1H3,(H,24,26)(H,28,29)/b19-14-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61153
PNG
(3-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-12-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61621
PNG
((5Z)-3-(2-methoxyethyl)-5-(4-pyrrolidinobenzyliden...)
Show SMILES COCCN1C(=S)S\C(=C/c2ccc(cc2)N2CCCC2)C1=O
Show InChI InChI=1S/C17H20N2O2S2/c1-21-11-10-19-16(20)15(23-17(19)22)12-13-4-6-14(7-5-13)18-8-2-3-9-18/h4-7,12H,2-3,8-11H2,1H3/b15-12-
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Burnham Center for Chemical Genomics

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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61649
PNG
(4-[4-[(5E)-2,4-bis(oxidanylidene)-5-[(E)-3-phenylp...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9+
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61632
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|
Show InChI InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61610
PNG
((2-Methyl-[1,3]dioxan-2-yl)-acetic acid [4-(2,4-di...)
Show SMILES CC1(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1
Show InChI InChI=1S/C21H22Cl2N2O4/c1-21(28-9-2-10-29-21)12-20(26)25-24-13-15-3-7-18(8-4-15)27-14-16-5-6-17(22)11-19(16)23/h3-8,11,13H,2,9-10,12,14H2,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61629
PNG
(2-[3-((E)-3-Furan-2-yl-acryloylamino)-benzoylamino...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)\C=C\c2ccco2)c1
Show InChI InChI=1S/C21H16N2O5/c24-19(11-10-16-7-4-12-28-16)22-15-6-3-5-14(13-15)20(25)23-18-9-2-1-8-17(18)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)/b11-10+
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61605
PNG
((E)-1-[4-[4-[3-chloranyl-5-(trifluoromethyl)pyridi...)
Show SMILES CN(C)\C=C\C(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H22ClF3N4O/c1-27(2)8-7-19(30)15-3-5-17(6-4-15)28-9-11-29(12-10-28)20-18(22)13-16(14-26-20)21(23,24)25/h3-8,13-14H,9-12H2,1-2H3/b8-7+
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM51717
PNG
(MLS000592000 | N-[2-[(E)-1-cyano-2-(3,4-dichloroph...)
Show SMILES CC(=O)Nc1sc(nc1-c1ccc(C)cc1)C(=C\c1ccc(Cl)c(Cl)c1)\C#N
Show InChI InChI=1S/C21H15Cl2N3OS/c1-12-3-6-15(7-4-12)19-21(25-13(2)27)28-20(26-19)16(11-24)9-14-5-8-17(22)18(23)10-14/h3-10H,1-2H3,(H,25,27)/b16-9+
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61628
PNG
((5-Dec-9-enyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acet...)
Show SMILES OC(=O)CSc1nnc(CCCCCCCCC=C)[nH]1
Show InChI InChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-9-10-12-15-14(17-16-12)20-11-13(18)19/h2H,1,3-11H2,(H,18,19)(H,15,16,17)
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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50964
PNG
((Z)-3-[4-(diethylamino)-2-isopropoxy-phenyl]-2-(6-...)
Show SMILES CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 |w:9.8|
Show InChI InChI=1S/C24H28N4O/c1-6-28(7-2)20-10-9-18(23(14-20)29-16(3)4)13-19(15-25)24-26-21-11-8-17(5)12-22(21)27-24/h8-14,16H,6-7H2,1-5H3,(H,26,27)
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Burnham Center for Chemical Genomics

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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61643
PNG
(4-[[2-[(2-cumidino-2-keto-ethyl)thio]-4-keto-thien...)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C25H23N3O4S2/c1-15(2)17-7-9-19(10-8-17)26-21(29)14-34-25-27-20-11-12-33-22(20)23(30)28(25)13-16-3-5-18(6-4-16)24(31)32/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,31,32)
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Burnham Center for Chemical Genomics

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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61650
PNG
(4-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-6-4-14(5-7-15)21(27)28)2-1-9-24-20(26)18(32-22(24)31)11-13-3-8-16-17(10-13)30-12-29-16/h3-8,10-11H,1-2,9,12H2,(H,23,25)(H,27,28)/b18-11-
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Burnham Center for Chemical Genomics

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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61654
PNG
(3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C23H22N2O6S2/c1-30-17-9-8-14(11-18(17)31-2)12-19-21(27)25(23(32)33-19)10-4-7-20(26)24-16-6-3-5-15(13-16)22(28)29/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,26)(H,28,29)/b19-12-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM43061
PNG
((Z)-3-[4-(diethylamino)-2-propoxy-phenyl]-2-(6-met...)
Show SMILES CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
Show InChI InChI=1S/C24H28N4O/c1-5-12-29-23-15-20(28(6-2)7-3)10-9-18(23)14-19(16-25)24-26-21-11-8-17(4)13-22(21)27-24/h8-11,13-15H,5-7,12H2,1-4H3,(H,26,27)
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50135
PNG
(3-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(2-th...)
Show SMILES Cc1nnc(NC(=O)c2sc3nc(cc(c3c2N)C(F)(F)F)-c2cccs2)s1
Show InChI InChI=1S/C16H10F3N5OS3/c1-6-23-24-15(27-6)22-13(25)12-11(20)10-7(16(17,18)19)5-8(21-14(10)28-12)9-3-2-4-26-9/h2-5H,20H2,1H3,(H,22,24,25)
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61603
PNG
(1-(4-chlorobenzyl)-4-[4-(2-methylphenyl)-1-piperaz...)
Show SMILES Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
Show InChI InChI=1S/C23H23ClN6/c1-17-4-2-3-5-21(17)28-10-12-29(13-11-28)22-20-14-27-30(23(20)26-16-25-22)15-18-6-8-19(24)9-7-18/h2-9,14,16H,10-13,15H2,1H3
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61641
PNG
(5-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)-N-ph...)
Show SMILES CCN(CC)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN4S/c1-3-28(4-2)21-14-10-18(11-15-21)23-29(22-16-12-19(25)13-17-22)27-24(30-23)26-20-8-6-5-7-9-20/h5-17H,3-4H2,1-2H3,(H,26,27)/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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61608
PNG
((5Z)-3-benzyl-5-[4-(dimethylamino)benzylidene]-2-t...)
Show SMILES CN(C)c1ccc(\C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C19H19N3OS/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)22(19(24)20-17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,24)/b17-12-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM58342
PNG
((5E)-5-[4-(4-ethoxy-N-methyl-anilino)benzylidene]-...)
Show SMILES CCOc1ccc(cc1)N(C)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.15,c:20|
Show InChI InChI=1S/C19H18N2O2S2/c1-3-23-16-10-8-15(9-11-16)21(2)14-6-4-13(5-7-14)12-17-18(22)20-19(24)25-17/h4-12H,3H2,1-2H3,(H,20,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61626
PNG
(MLS000777252 | N-(4-Hydroxy-phenyl)-4-{4-oxo-2-thi...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13-
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n/an/a 744n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM40889
PNG
(1-(4-methylbenzyl)-4-[4-(2-methylphenyl)-1-piperaz...)
Show SMILES Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C24H26N6/c1-18-7-9-20(10-8-18)16-30-24-21(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)22-6-4-3-5-19(22)2/h3-10,15,17H,11-14,16H2,1-2H3
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n/an/a 761n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61609
PNG
(MLS000544709 | N-[2-[(4-chlorobenzyl)thio]-1,3-ben...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
Show InChI InChI=1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61637
PNG
(6-nitro-3-(2-pyridinyl)-1H-indol-2-amine | 6-nitro...)
Show SMILES Nc1[nH]c2cc(ccc2c1-c1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N4O2/c14-13-12(10-3-1-2-6-15-10)9-5-4-8(17(18)19)7-11(9)16-13/h1-7,16H,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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61653
PNG
(3-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazo...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
Show InChI InChI=1S/C22H18N2O6S2/c25-19(23-15-4-1-3-14(11-15)21(27)28)5-2-8-24-20(26)18(32-22(24)31)10-13-6-7-16-17(9-13)30-12-29-16/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,23,25)(H,27,28)/b18-10-
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n/an/a 803n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61645
PNG
(3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+
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n/an/a 805n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM58229
PNG
((5Z)-5-(dimethylaminomethylene)-3-p-cumenyl-2-thio...)
Show SMILES CC(C)c1ccc(cc1)N1C(=S)S\C(=C/N(C)C)C1=O
Show InChI InChI=1S/C15H18N2OS2/c1-10(2)11-5-7-12(8-6-11)17-14(18)13(9-16(3)4)20-15(17)19/h5-10H,1-4H3/b13-9-
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM48749
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
Show InChI InChI=1S/C20H27N3O3S/c1-5-21-20-23(6-2)19(24)18(27-20)12-14-11-17(26-4)15(13-16(14)25-3)22-9-7-8-10-22/h11-13H,5-10H2,1-4H3/b18-12-,21-20+
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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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61651
PNG
(3-(4-tert-butylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C21H28N2O4S/c1-21(2,3)17-6-8-18(9-7-17)27-15-13-20(24)23-14-12-16-4-10-19(11-5-16)28(22,25)26/h4-11H,12-15H2,1-3H3,(H,23,24)(H2,22,25,26)
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n/an/a 929n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61607
PNG
(6-Amino-2-methyl-8-thiophen-3-yl-2,3,8,8a-tetrahyd...)
Show SMILES CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccsc1 |c:4|
Show InChI InChI=1S/C17H15N5S/c1-22-4-2-12-13(6-18)16(21)17(9-19,10-20)15(14(12)7-22)11-3-5-23-8-11/h3,5,8,14-15,21H,2,4,7H2,1H3
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n/an/a 991n/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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61633
PNG
(2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]car...)
Show SMILES CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
Show InChI InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
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n/an/a 1.00E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50749
PNG
(6-Amino-2-methyl-8-phenyl-2,6,8,8a-tetrahydro-1H-i...)
Show SMILES CN1CC2C(c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
Show InChI InChI=1S/C19H17N5/c1-24-8-7-14-15(9-20)18(23)19(11-21,12-22)17(16(14)10-24)13-5-3-2-4-6-13/h2-8,16-18H,10,23H2,1H3
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n/an/a 1.01E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 1.01E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM43416
PNG
(MLS000375336 | N-[1-(1-adamantyl)ethyl]-2-(4,5-dic...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C18H23Cl2N3O2/c1-10(18-5-11-2-12(6-18)4-13(3-11)7-18)22-15(24)9-23-17(25)16(20)14(19)8-21-23/h8,10-13H,2-7,9H2,1H3,(H,22,24)
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n/an/a 1.07E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM48876
PNG
(3-[5-[(Z)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12-,25-21?
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n/an/a 1.10E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61631
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoyl...)
Show SMILES CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC |w:5.4|
Show InChI InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)
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n/an/a 1.11E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61611
PNG
(MLS000581649 | N-(1,3-benzothiazol-2-yl)-3-nitro-4...)
Show SMILES [O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H18N4O3S/c24-18(21-19-20-14-6-2-3-7-17(14)27-19)13-8-9-15(16(12-13)23(25)26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21,24)
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n/an/a 1.12E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM53032
PNG
((5E)-5-[4-(dimethylamino)benzylidene]-3-methyl-2-t...)
Show SMILES CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-14(2)10-6-4-9(5-7-10)8-11-12(16)15(3)13(18)17-11/h4-8H,1-3H3/b11-8+
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n/an/a 1.12E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61627
PNG
((Z)-3-(4-methoxyphenyl)-N-[2-oxidanylidene-2-[2-[(...)
Show SMILES COc1ccc(C=CC(=O)NCC(=O)NN=Cc2ccc(O)cc2O)cc1 |w:15.14,6.5|
Show InChI InChI=1S/C19H19N3O5/c1-27-16-7-2-13(3-8-16)4-9-18(25)20-12-19(26)22-21-11-14-5-6-15(23)10-17(14)24/h2-11,23-24H,12H2,1H3,(H,20,25)(H,22,26)
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n/an/a 1.16E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61646
PNG
(4-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(26)27)7-4-12-23-19(25)17(29-21(23)28)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,26,27)/b17-13+
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n/an/a 1.16E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50955
PNG
((Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)-2...)
Show SMILES CCN(CC)c1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1
Show InChI InChI=1S/C23H26N4O/c1-5-27(6-2)19-12-11-17(22(14-19)28-16(3)4)13-18(15-24)23-25-20-9-7-8-10-21(20)26-23/h7-14,16H,5-6H2,1-4H3,(H,25,26)/b18-13-
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n/an/a 1.19E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61647
PNG
(MLS001030592 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
Show InChI InChI=1S/C23H26N4O3S/c1-13-6-8-27(9-7-13)21-19-14(2)20(31-23(19)25-15(3)24-21)22(28)26-16-4-5-17-18(12-16)30-11-10-29-17/h4-5,12-13H,6-11H2,1-3H3,(H,26,28)
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n/an/a 1.20E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61648
PNG
(4-[4-[(5Z)-2,4-bis(oxidanylidene)-5-[(E)-3-phenylp...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9-
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n/an/a 1.26E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM41526
PNG
(MLS000581136 | N-(3-chloranyl-4-methyl-phenyl)-2-[...)
Show SMILES CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H25ClN2O4/c1-4-31-20-13-11-18(12-14-20)27-24(29)17(3)32-23-8-6-5-7-21(23)25(30)28-19-10-9-16(2)22(26)15-19/h5-15,17H,4H2,1-3H3,(H,27,29)(H,28,30)
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n/an/a 1.31E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61644
PNG
(5-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)-N-p...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN4S/c1-26(2)19-12-8-16(9-13-19)21-27(20-14-10-17(23)11-15-20)25-22(28-21)24-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)/q+1
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n/an/a 1.33E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50875
PNG
(8-Trifluoromethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-...)
Show SMILES FC(F)(F)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
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n/an/a 1.37E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50999
PNG
(3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-5-phenyl...)
Show SMILES CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
Show InChI InChI=1S/C17H16N2O4S/c1-24(20,21)19-15(10-14(18-19)12-5-3-2-4-6-12)13-7-8-16-17(9-13)23-11-22-16/h2-9,15H,10-11H2,1H3
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n/an/a 1.42E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
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