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PubChem AID 1961

Compile Data Set for Download or QSAR

Found 210 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)
BDBM61001
PNG
(5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4...)
Show SMILES COCc1nc(no1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H16N2O5/c1-16-7-11-14-13(15-20-11)8-5-9(17-2)12(19-4)10(6-8)18-3/h5-6H,7H2,1-4H3
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61002
PNG
(MLS000098106 | N-(2-methoxy-4-morpholin-4-ylsulfon...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2CCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H22N2O5S2/c1-25-16-12-14(28(23,24)21-7-9-26-10-8-21)5-6-15(16)20-19(22)18-11-13-3-2-4-17(13)27-18/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22)
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n/an/an/an/a 2.83E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61003
PNG
(5,6-dimethyl-1-(1-phenyl-1,2,3,4-tetrazol-5-yl)ben...)
Show SMILES Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C
Show InChI InChI=1S/C16H14N6/c1-11-8-14-15(9-12(11)2)21(10-17-14)16-18-19-20-22(16)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/an/an/a 2.00E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61006
PNG
(4-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)a...)
Show SMILES CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H25Cl2N3O4/c1-3-27-18(25)22-8-6-14(7-9-22)23(10-11-26-2)17(24)21-13-4-5-15(19)16(20)12-13/h4-5,12,14H,3,6-11H2,1-2H3,(H,21,24)
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n/an/an/an/a 2.65E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM48221
PNG
((Z)-2-(4-acetyl-5-anilino-thiophene-2-carbonyl)-3-...)
Show SMILES CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1
Show InChI InChI=1S/C24H21NO4S/c1-3-29-24(28)20(14-17-10-6-4-7-11-17)22(27)21-15-19(16(2)26)23(30-21)25-18-12-8-5-9-13-18/h4-15,25H,3H2,1-2H3
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n/an/an/an/a 1.06E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61011
PNG
((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Show SMILES COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C26H20ClN3O4/c1-33-24(31)22-23(25(32)34-2)29(15-28)30(17-13-11-16(27)12-14-17)26(22)20-9-5-3-7-18(20)19-8-4-6-10-21(19)26/h3-14,22-23H,1-2H3/t22-,23-/m0/s1
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM37835
PNG
(2-methyl-3-(1-naphthyl)-4,5,6,7-tetrahydro-8H-cycl...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C20H17N3O/c1-12-18(15-9-4-7-13-6-2-3-8-14(13)15)19-21-17-11-5-10-16(17)20(24)23(19)22-12/h2-4,6-9,22H,5,10-11H2,1H3
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n/an/an/an/a 8.52E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61018
PNG
((6Z)-5-azanylidene-6-[[4-[3-(2,6-dimethylphenoxy)p...)
Show SMILES COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C
Show InChI InChI=1S/C25H25N3O4S/c1-16-6-4-7-17(2)22(16)32-12-5-11-31-20-9-8-18(15-21(20)30-3)14-19-23(26)28-10-13-33-25(28)27-24(19)29/h4,6-10,13-15,26H,5,11-12H2,1-3H3/b19-14-,26-23?
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n/an/an/an/a 4.70E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM52318
PNG
(1-[5-(3,4-dichlorophenyl)-2-furanyl]-6,7-dimethoxy...)
Show SMILES COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C21H17Cl2NO3/c1-25-19-10-12-7-8-24-21(14(12)11-20(19)26-2)18-6-5-17(27-18)13-3-4-15(22)16(23)9-13/h3-6,9-11H,7-8H2,1-2H3
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61046
PNG
(7-chloro-6-formyl-2-(1-oxopentylamino)-4,5-dihydro...)
Show SMILES CCCCC(=O)Nc1sc2c(CCC(C=O)=C2Cl)c1C(=O)OCC
Show InChI InChI=1S/C17H20ClNO4S/c1-3-5-6-12(21)19-16-13(17(22)23-4-2)11-8-7-10(9-20)14(18)15(11)24-16/h9H,3-8H2,1-2H3,(H,19,21)
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61055
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1
Show InChI InChI=1S/C22H13F3N2O2S2/c23-22(24,25)13-9-10-19-16(11-13)27(15-6-2-4-8-18(15)31-19)20(28)12-30-21-26-14-5-1-3-7-17(14)29-21/h1-11H,12H2
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61064
PNG
(5-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-2-methox...)
Show SMILES COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O
Show InChI InChI=1S/C23H16N2O2S2/c1-27-19-11-10-14(13-18(19)26)12-15(22-24-16-6-2-4-8-20(16)28-22)23-25-17-7-3-5-9-21(17)29-23/h2-13,26H,1H3
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n/an/an/an/a 3.05E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61071
PNG
(MLS000394766 | N-(2-methyl-5-morpholin-4-ylsulfony...)
Show SMILES Cc1ccc(cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H25N5O4S2/c1-16-7-8-18(35(31,32)28-9-11-33-12-10-28)14-20(16)25-23(30)15-34-24-27-26-22-13-17(2)19-5-3-4-6-21(19)29(22)24/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,30)
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n/an/an/an/a 1.74E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM55716
PNG
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)
Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2OC)c(O)c1
Show InChI InChI=1S/C27H32N2O6/c1-34-21-12-13-22(24(31)16-21)23(30)14-15-27(33)29(17-19-8-6-7-11-25(19)35-2)18-26(32)28-20-9-4-3-5-10-20/h6-8,11-16,20,31H,3-5,9-10,17-18H2,1-2H3,(H,28,32)/b15-14+
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61089
PNG
((5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-(4-chloro...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc12
Show InChI InChI=1S/C26H32ClN2O2/c1-17(2)21-14-9-18(3)15-24(21)31-25(30)16-29-23-8-6-5-7-22(23)28(4)26(29)19-10-12-20(27)13-11-19/h5-8,10-13,17-18,21,24H,9,14-16H2,1-4H3/q+1
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61104
PNG
(2-hydroxybenzoic acid [(3Z)-2-keto-3-(1,3,3-trimet...)
Show SMILES CN1C(=CC(=O)COC(=O)c2ccccc2O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C21H21NO4/c1-21(2)16-9-5-6-10-17(16)22(3)19(21)12-14(23)13-26-20(25)15-8-4-7-11-18(15)24/h4-12,24H,13H2,1-3H3
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n/an/an/an/a 1.67E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61112
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1ccc(cc1)N(C)C)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C32H36N2O5/c1-7-34(8-2)28(35)18-24(22-14-16-23(17-15-22)33(3)4)30-26(37-5)20-27(38-6)31-25(19-29(36)39-32(30)31)21-12-10-9-11-13-21/h9-17,19-20,24H,7-8,18H2,1-6H3
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n/an/an/an/a 2.74E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61124
PNG
(1-isobutyl-4-[(1S)-3-methyl-1-[(phenylthio)methyl]...)
Show SMILES CC(C)C[C@@H](CSc1ccccc1)N1CCN(CC(C)C)CCC1=O
Show InChI InChI=1S/C21H34N2OS/c1-17(2)14-19(16-25-20-8-6-5-7-9-20)23-13-12-22(15-18(3)4)11-10-21(23)24/h5-9,17-19H,10-16H2,1-4H3/t19-/m0/s1
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n/an/an/an/a 1.41E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61126
PNG
(2-(3-bromobenzyl)-6-(2,5-dimethylphenyl)pyridazin-...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(=O)n(Cc2cccc(Br)c2)n1
Show InChI InChI=1S/C19H17BrN2O/c1-13-6-7-14(2)17(10-13)18-8-9-19(23)22(21-18)12-15-4-3-5-16(20)11-15/h3-11H,12H2,1-2H3
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n/an/an/an/a 3.48E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM58435
PNG
(2,6-bis(5-chloranyl-2-oxidanyl-phenyl)-3,5-dimethy...)
Show SMILES CC1C(NC(C(C)C1=O)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H19Cl2NO3/c1-9-17(13-7-11(20)3-5-15(13)23)22-18(10(2)19(9)25)14-8-12(21)4-6-16(14)24/h3-10,17-18,22-24H,1-2H3
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61134
PNG
((4-ethylphenyl)-[5-[4-(methylthio)phenyl]-4-phenyl...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2ccc(SC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H22N3S2/c1-3-17-9-13-19(14-10-17)24-23-25-26(20-7-5-4-6-8-20)22(28-23)18-11-15-21(27-2)16-12-18/h4-16H,3H2,1-2H3,(H,24,25)/q+1
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n/an/an/an/a 2.31E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM58631
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chloro...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1
Show InChI InChI=1S/C19H22ClN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 4.16E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61146
PNG
((phenylmethyl) N-[(4S)-1-[(2S)-1-(4-methylphenyl)s...)
Show SMILES Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C30H34N2O3S/c1-23-12-15-28(16-13-23)36-22-27(20-24-8-4-2-5-9-24)32-19-18-26(14-17-29(32)33)31-30(34)35-21-25-10-6-3-7-11-25/h2-13,15-16,26-27H,14,17-22H2,1H3,(H,31,34)/t26-,27-/m0/s1
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n/an/an/an/a 1.42E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM56927
PNG
(4-[[(3E)-3-(4-ethoxy-6-keto-cyclohexa-2,4-dien-1-y...)
Show SMILES CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1
Show InChI InChI=1S/C21H22N2O5/c1-3-11-27-21(25)14-5-7-15(8-6-14)28-19-13-22-23-20(19)17-10-9-16(26-4-2)12-18(17)24/h5-10,12-13,24H,3-4,11H2,1-2H3,(H,22,23)
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61000
PNG
(1-(4-acetyl-2,5-dimethyl-1-piperonyl-pyrrol-3-yl)e...)
Show SMILES CC(=O)c1c(C)n(Cc2ccc3OCOc3c2)c(C)c1C(C)=O
Show InChI InChI=1S/C18H19NO4/c1-10-17(12(3)20)18(13(4)21)11(2)19(10)8-14-5-6-15-16(7-14)23-9-22-15/h5-7H,8-9H2,1-4H3
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61012
PNG
((E)-2-(1,3-dithian-2-ylidene)-1-(4-methylphenyl)-5...)
Show SMILES Cc1ccc(cc1)C(=O)C(C(=O)\C=C\c1ccccc1)=C1SCCCS1
Show InChI InChI=1S/C22H20O2S2/c1-16-8-11-18(12-9-16)21(24)20(22-25-14-5-15-26-22)19(23)13-10-17-6-3-2-4-7-17/h2-4,6-13H,5,14-15H2,1H3/b13-10+
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n/an/an/an/a 3.63E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61014
PNG
(MLS000538457 | N-[5-(methoxymethyl)-1,3,4-thiadiaz...)
Show SMILES COCc1nnc(NC(=O)CCSc2ccccc2)s1
Show InChI InChI=1S/C13H15N3O2S2/c1-18-9-12-15-16-13(20-12)14-11(17)7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61019
PNG
(4-amino-2,2-bis(ethylsulfanyl)-6-(4-fluorophenyl)-...)
Show SMILES CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N
Show InChI InChI=1S/C17H17FN4S2/c1-3-23-17(24-4-2)16(10-20)13(11-5-7-12(18)8-6-11)15(16,9-19)14(21)22-17/h5-8,13H,3-4H2,1-2H3,(H2,21,22)
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n/an/an/an/a 1.86E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61021
PNG
(MLS000551367 | N-[2-(4-p-toluoylpiperazino)acenaph...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C30H29N3O3S/c1-21-13-15-23(16-14-21)30(34)33-19-17-32(18-20-33)29-26-12-6-8-22-7-5-11-25(27(22)26)28(29)31-37(35,36)24-9-3-2-4-10-24/h2-16,28-29,31H,17-20H2,1H3
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n/an/an/an/a 3.68E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM44505
PNG
((5Z)-3-butyl-2-sulfanylidene-5-[(2Z)-2-(1,3,3-trim...)
Show SMILES CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O
Show InChI InChI=1S/C20H24N2OS2/c1-5-6-13-22-18(23)16(25-19(22)24)11-12-17-20(2,3)14-9-7-8-10-15(14)21(17)4/h7-12H,5-6,13H2,1-4H3/b16-11-,17-12-
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n/an/an/an/a 731n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61034
PNG
(2-(8-Methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinol...)
Show SMILES COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccccc4)n3c2c1
Show InChI InChI=1S/C23H19N5O2S2/c1-14-10-16-8-9-17(30-2)11-19(16)28-21(14)26-27-23(28)32-13-20(29)25-22-24-18(12-31-22)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25,29)
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n/an/an/an/a 1.03E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(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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n/an/an/an/a 500n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61050
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-...)
Show SMILES O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H14N2O2S2/c24-20(13-26-21-22-14-7-1-4-10-17(14)25-21)23-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)23/h1-12H,13H2
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(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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n/an/an/an/a 671n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61057
PNG
(2-[3-((E)-2-Nitro-vinyl)-indol-1-ylmethyl]-benzoni...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12
Show InChI InChI=1S/C18H13N3O2/c19-11-14-5-1-2-6-15(14)12-20-13-16(9-10-21(22)23)17-7-3-4-8-18(17)20/h1-10,13H,12H2/b10-9+
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n/an/an/an/a 3.11E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61061
PNG
(2-(4-chlorophenyl)sulfanyl-N-(2-methoxydibenzofura...)
Show SMILES COc1cc2c(cc1NC(=O)CSc1ccc(Cl)cc1)oc1ccccc21
Show InChI InChI=1S/C21H16ClNO3S/c1-25-20-10-16-15-4-2-3-5-18(15)26-19(16)11-17(20)23-21(24)12-27-14-8-6-13(22)7-9-14/h2-11H,12H2,1H3,(H,23,24)
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n/an/an/an/a 2.07E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61066
PNG
(14-benzoylacenaphtho[1',2':4,5]pyrido[2,1-...)
Show SMILES [Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
Show InChI InChI=1S/C28H16NOS.BrH/c30-28(18-8-2-1-3-9-18)27-26-20-13-7-11-17-10-6-12-19(25(17)20)21(26)16-24-29(27)22-14-4-5-15-23(22)31-24;/h1-16H;1H/q+1;/p-1
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM60035
PNG
(2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2...)
Show SMILES O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O
Show InChI InChI=1S/C18H20N6O3S2/c25-13(23-24-14(26)18(20-16(24)27)9-5-2-6-10-18)11-28-17-22-21-15(29-17)19-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,21)(H,20,27)(H,23,25)
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n/an/an/an/a 3.03E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(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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n/an/an/an/a 866n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61086
PNG
(3-[(E)-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-eny...)
Show SMILES CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3
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n/an/an/an/a 1.95E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50745
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
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n/an/an/an/a 1.31E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61109
PNG
(3-(1,3-benzodioxol-5-yl)-3-(5,7-dimethoxy-2-oxidan...)
Show SMILES CCN(CC)C(=O)CC(c1ccc2OCOc2c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO7/c1-5-32(6-2)27(33)15-21(20-12-13-23-24(14-20)38-18-37-23)29-25(35-3)17-26(36-4)30-22(16-28(34)39-31(29)30)19-10-8-7-9-11-19/h7-14,16-17,21H,5-6,15,18H2,1-4H3
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n/an/an/an/a 2.72E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61129
PNG
(4-[5-(2,5-dimethylbenzyl)-6,11-diketo-benzo[b][1,4...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C30H31N3O5S/c1-4-38-30(36)32-15-13-31(14-16-32)28(34)22-11-12-27-25(18-22)33(19-23-17-20(2)9-10-21(23)3)29(35)24-7-5-6-8-26(24)39(27)37/h5-12,17-18H,4,13-16,19H2,1-3H3
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n/an/an/an/a 4.83E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM39940
PNG
(5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H16ClN5O2S/c1-12-6-7-15(21-27-28-13(2)25-26-22(28)31-21)11-17(12)24-20(29)19-9-8-18(30-19)14-4-3-5-16(23)10-14/h3-11H,1-2H3,(H,24,29)
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n/an/an/an/a 1.77E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM44869
PNG
(5-chloranyl-6-(3,4-dimethoxyphenyl)-1-phenyl-3-[[(...)
Show SMILES COc1ccc(cc1OC)-c1c(Cl)nc(N[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24ClN3O3/c1-17(18-10-6-4-7-11-18)28-25-26(31)30(20-12-8-5-9-13-20)23(24(27)29-25)19-14-15-21(32-2)22(16-19)33-3/h4-17H,1-3H3,(H,28,29)/t17-/m0/s1
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n/an/an/an/a 5.32E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM44483
PNG
((5Z)-3-butan-2-yl-5-[[9-methyl-4-oxidanylidene-2-(...)
Show SMILES CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C23H30N4O3S2/c1-6-16(5)27-22(29)18(32-23(27)31)13-17-19(24-10-8-12-30-14(2)3)25-20-15(4)9-7-11-26(20)21(17)28/h7,9,11,13-14,16,24H,6,8,10,12H2,1-5H3/b18-13-
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n/an/an/an/a 532n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61022
PNG
(3-[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2n(CC)c(CCC(=O)Nc3cccc(c3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C23H27F3N4O3S/c1-4-29(5-2)34(32,33)18-10-11-20-19(15-18)28-21(30(20)6-3)12-13-22(31)27-17-9-7-8-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,27,31)
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n/an/an/an/a 7.88E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61027
PNG
(3-[2-[[(3Z)-2-(4-morpholinyl)-3-(phenylmethylene)-...)
Show SMILES O=C1N=c2ccccc2=C1NN=CC1=C(N2CCOCC2)C(CC1)=Cc1ccccc1
Show InChI InChI=1S/C25H24N4O2/c30-25-23(21-8-4-5-9-22(21)27-25)28-26-17-20-11-10-19(16-18-6-2-1-3-7-18)24(20)29-12-14-31-15-13-29/h1-9,16-17H,10-15H2,(H,27,28,30)
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n/an/an/an/a 3.20E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61028
PNG
(3-amino-4-(2-methylpropylthio)-6-nitro-1-benzothio...)
Show SMILES CCOC(=O)c1sc2cc(cc(SCC(C)C)c2c1N)[N+]([O-])=O
Show InChI InChI=1S/C15H18N2O4S2/c1-4-21-15(18)14-13(16)12-10(22-7-8(2)3)5-9(17(19)20)6-11(12)23-14/h5-6,8H,4,7,16H2,1-3H3
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n/an/an/an/a 523n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61039
PNG
(2-[[5-(2-carbomethoxy-3-thienyl)-2-furyl]methylene...)
Show SMILES CCOC(=O)C(=Cc1ccc(o1)-c1ccsc1C(=O)OC)C(=O)OCC
Show InChI InChI=1S/C18H18O7S/c1-4-23-16(19)13(17(20)24-5-2)10-11-6-7-14(25-11)12-8-9-26-15(12)18(21)22-3/h6-10H,4-5H2,1-3H3
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n/an/an/an/a 1.84E+4n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 210 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%