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PubChem AID 2212

Compile data set for download or QSAR
Found 89 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
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42357
PNG
(1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea |...)
Show SMILES Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15ClN4O/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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n/an/an/an/a 1.27E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61817
PNG
(3-acenaphthen-5-yl-N-[(4-chloro-3-nitro-benzyliden...)
Show SMILES [O-][N+](=O)c1cc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)ccc1Cl
Show InChI InChI=1S/C23H16ClN5O3/c24-18-9-4-13(10-21(18)29(31)32)12-25-28-23(30)20-11-19(26-27-20)16-8-7-15-6-5-14-2-1-3-17(16)22(14)15/h1-4,7-12H,5-6H2,(H,26,27)(H,28,30)/b25-12+
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM47430
PNG
((5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thio...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61824
PNG
(2-[(2-methyl-5-oxidanylidene-3-phenyl-4H-imidazol-...)
Show SMILES Cc1nc(O)c(N=Nc2ccccc2C(O)=O)n1-c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c1-11-18-16(22)15(21(11)12-7-3-2-4-8-12)20-19-14-10-6-5-9-13(14)17(23)24/h2-10,22H,1H3,(H,23,24)
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n/an/an/an/a 9.92E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61831
PNG
(3-chloranyl-5-diazanyl-1,2-thiazole-4-carbonitrile...)
Show SMILES NNc1snc(Cl)c1C#N
Show InChI InChI=1S/C4H3ClN4S/c5-3-2(1-6)4(8-7)10-9-3/h8H,7H2
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n/an/an/an/a 7.05E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM54120
PNG
(2-[[(Z)-(1,3-diketo-2-p-anisyl-4-isoquinolylidene)...)
Show SMILES COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H20N2O5/c1-32-17-12-10-16(11-13-17)15-27-23(28)19-7-3-2-6-18(19)21(24(27)29)14-26-22-9-5-4-8-20(22)25(30)31/h2-14,26H,15H2,1H3,(H,30,31)
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61847
PNG
((2,4-difluorophenyl)-[1-(5-nitro-2-pyridinyl)-4-pi...)
Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCC(CC1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2N3O3/c18-12-1-3-14(15(19)9-12)17(23)11-5-7-21(8-6-11)16-4-2-13(10-20-16)22(24)25/h1-4,9-11H,5-8H2
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61793
PNG
(5-[(3Z)-3-(4-hydroxy-6-keto-3-propyl-cyclohexa-2,4...)
Show SMILES CCCc1cc(-c2n[nH]cc2-c2ccc(o2)C(=O)OCC)c(O)cc1O
Show InChI InChI=1S/C19H20N2O5/c1-3-5-11-8-12(15(23)9-14(11)22)18-13(10-20-21-18)16-6-7-17(26-16)19(24)25-4-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
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n/an/an/an/a 1.85E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61795
PNG
(1-(2-allylphenoxy)-3-[4-(4-methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2CC=C)CC1
Show InChI InChI=1S/C23H30N2O2/c1-3-6-20-7-4-5-8-23(20)27-18-22(26)17-24-13-15-25(16-14-24)21-11-9-19(2)10-12-21/h3-5,7-12,22,26H,1,6,13-18H2,2H3
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n/an/an/an/a 8.50E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM41606
PNG
(MLS000324745 | N-[1,1,1,3,3,3-hexafluoro-2-[(6-nit...)
Show SMILES [O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
Show InChI InChI=1S/C17H10F6N4O3S/c18-16(19,20)15(17(21,22)23,25-13(28)9-4-2-1-3-5-9)26-14-24-11-7-6-10(27(29)30)8-12(11)31-14/h1-8H,(H,24,26)(H,25,28)
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n/an/an/an/a 3.53E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM57764
PNG
(4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4O2/c1-2-29-23(28)22-26-20-11-7-6-10-19(20)21(27-22)25-18-14-12-17(13-15-18)24-16-8-4-3-5-9-16/h3-15,24H,2H2,1H3,(H,25,26,27)
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n/an/an/an/a 1.09E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61820
PNG
(4-chloranyl-3-nitro-N-(2-pyrrolidin-1-ylcarbonylph...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1
Show InChI InChI=1S/C18H16ClN3O4/c19-14-8-7-12(11-16(14)22(25)26)17(23)20-15-6-2-1-5-13(15)18(24)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)
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n/an/an/an/a 1.86E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61822
PNG
(4-(4-morpholinyl)-8-nitroquinoline | 4-(8-nitro-4-...)
Show SMILES [O-][N+](=O)c1cccc2c(ccnc12)N1CCOCC1
Show InChI InChI=1S/C13H13N3O3/c17-16(18)12-3-1-2-10-11(4-5-14-13(10)12)15-6-8-19-9-7-15/h1-5H,6-9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM47312
PNG
(2-[(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)amino]pr...)
Show SMILES CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C9H14N4O3S/c1-4(2)16-8(15)5(3)10-6-7(14)11-9(17)13-12-6/h4-5H,1-3H3,(H,10,12)(H2,11,13,14,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM58070
PNG
(2-[(E)-[3-(3-methoxypropyl)-4-oxidanylidene-2-sulf...)
Show SMILES COCCCN1C(=S)S\C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)C1=O
Show InChI InChI=1S/C19H18N4O3S2/c1-12-4-6-13(7-5-12)21-17-14(11-20)22-16(26-17)10-15-18(24)23(19(27)28-15)8-3-9-25-2/h4-7,10,21H,3,8-9H2,1-2H3/b15-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM46522
PNG
(2-[(Furan-2-ylmethyl)-amino]-succinic acid 1-(2-me...)
Show SMILES COCCOC(=O)C(CC(O)=O)NCc1ccco1
Show InChI InChI=1S/C12H17NO6/c1-17-5-6-19-12(16)10(7-11(14)15)13-8-9-3-2-4-18-9/h2-4,10,13H,5-8H2,1H3,(H,14,15)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM37026
PNG
(4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimet...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C
Show InChI InChI=1S/C21H22N2O5/c1-12-17(14(3)24)13(2)22-18(12)21(27)28-11-7-6-10-23-19(25)15-8-4-5-9-16(15)20(23)26/h4-5,8-9,22H,6-7,10-11H2,1-3H3
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61799
PNG
(MLS000088372 | N-(2-chlorophenyl)-2,3,4,5,6-pentaf...)
Show SMILES Fc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F
Show InChI InChI=1S/C13H5ClF5NO/c14-5-3-1-2-4-6(5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61800
PNG
(1-(9-carbazolyl)-3-(diethylamino)-2-propanol | 1-c...)
Show SMILES CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H24N2O/c1-3-20(4-2)13-15(22)14-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15,22H,3-4,13-14H2,1-2H3
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n/an/an/an/a 1.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61801
PNG
(3-Chloro-N-{2,2,2-trichloro-1-[3-(4-methoxy-2-nitr...)
Show SMILES COc1ccc(NC(=S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14Cl4N4O4S/c1-29-11-5-6-12(13(8-11)25(27)28)22-16(30)24-15(17(19,20)21)23-14(26)9-3-2-4-10(18)7-9/h2-8,15H,1H3,(H,23,26)(H2,22,24,30)
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n/an/an/an/a 1.67E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61802
PNG
(4-[[2-[[5-[1-[(2-chlorobenzoyl)amino]ethyl]-4-meth...)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1
Show InChI InChI=1S/C22H22ClN5O4S/c1-13(24-20(30)16-6-4-5-7-17(16)23)19-26-27-22(28(19)2)33-12-18(29)25-15-10-8-14(9-11-15)21(31)32-3/h4-11,13H,12H2,1-3H3,(H,24,30)(H,25,29)
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n/an/an/an/a 2.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61805
PNG
(1-(tert-butylamino)-3-(2,6-dimethylphenoxy)-2-prop...)
Show SMILES Cc1cccc(C)c1OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C15H25NO2/c1-11-7-6-8-12(2)14(11)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM29666
PNG
((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...)
Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61813
PNG
(2-(4-chlorophenyl)-N-[3-[(2-fluorophenyl)sulfamoyl...)
Show SMILES Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H16ClFN2O3S/c21-15-10-8-14(9-11-15)12-20(25)23-16-4-3-5-17(13-16)28(26,27)24-19-7-2-1-6-18(19)22/h1-11,13,24H,12H2,(H,23,25)
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n/an/an/an/a 1.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61815
PNG
(MLS000540255 | N-[(4-chlorobenzylidene)amino]-1'-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O6/c25-17-3-1-16(2-4-17)13-26-27-23(31)22-20-14-34-24(35-15-21(20)36-28-22)9-11-29(12-10-24)18-5-7-19(8-6-18)30(32)33/h1-8,13,20-21H,9-12,14-15H2,(H,27,31)/b26-13+
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61821
PNG
(1-(2-methylphenoxy)-3-(4-methyl-1-piperidinyl)-2-p...)
Show SMILES CC1CCN(CC(O)COc2ccccc2C)CC1
Show InChI InChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3
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n/an/an/an/a 2.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM46413
PNG
(2-benzyl-5-(4-bromophenyl)pyrazol-3-amine | 5-(4-b...)
Show SMILES Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2
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n/an/an/an/a 1.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61828
PNG
(2-(4-chloranylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)
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n/an/an/an/a 3.38E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61838
PNG
(2-[[2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl]-me...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(cc3)N3CCOCC3)ccc12
Show InChI InChI=1S/C29H33N5O3/c1-3-34-26-7-5-4-6-24(26)25-18-22(10-13-27(25)34)31-29(36)20-32(2)19-28(35)30-21-8-11-23(12-9-21)33-14-16-37-17-15-33/h4-13,18H,3,14-17,19-20H2,1-2H3,(H,30,35)(H,31,36)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61842
PNG
(4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihyd...)
Show SMILES Cc1sc2nc(SCc3ccc(cc3)C(O)=O)n(Cc3ccco3)c(=O)c2c1C
Show InChI InChI=1S/C21H18N2O4S2/c1-12-13(2)29-18-17(12)19(24)23(10-16-4-3-9-27-16)21(22-18)28-11-14-5-7-15(8-6-14)20(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61848
PNG
(3-(2-amino-5-phenyl-3-thienyl)-4-cyclohexyl-1H-1,2...)
Show SMILES Nc1sc(cc1-c1n[nH]c(=S)n1C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C18H20N4S2/c19-16-14(11-15(24-16)12-7-3-1-4-8-12)17-20-21-18(23)22(17)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10,19H2,(H,21,23)
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n/an/an/an/a 2.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM55926
PNG
(1,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-...)
Show SMILES Cc1c(c(nn1C)C(=O)Sc1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10BrN3O3S/c1-7-11(16(18)19)10(14-15(7)2)12(17)20-9-5-3-8(13)4-6-9/h3-6H,1-2H3
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM58233
PNG
(2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...)
Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N
Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)
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n/an/an/an/a 3.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61796
PNG
(MLS000044136 | N-benzyl-3-[[2-(4-ketoquinazolin-3-...)
Show SMILES CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM57123
PNG
(MLS000533426 | N'-(3-chlorophenyl)-N-(2,4-dich...)
Show SMILES CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1
Show InChI InChI=1S/C15H12Cl3N3O/c1-9(22)15(19-14-6-5-11(17)8-13(14)18)21-20-12-4-2-3-10(16)7-12/h2-8,20H,1H3,(H,19,21)
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n/an/an/an/a 1.26E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61806
PNG
(MLS000328049 | N-(5,6-dimethyl-1-p-anisyl-benzimid...)
Show SMILES COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
Show InChI InChI=1S/C18H21N3O3S/c1-12-9-16-18(17(13(12)2)20-25(4,22)23)19-11-21(16)10-14-5-7-15(24-3)8-6-14/h5-9,11,20H,10H2,1-4H3
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n/an/an/an/a 1.93E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM47421
PNG
(MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...)
Show SMILES ClCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM55630
PNG
(12-benzoyl-9,10-dimethylacenaphtho[1,2-d][1,3]thia...)
Show SMILES [Br-].Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
Show InChI InChI=1S/C26H18NOS.BrH/c1-15-16(2)29-22-14-21-19-12-6-10-17-11-7-13-20(23(17)19)24(21)25(27(15)22)26(28)18-8-4-3-5-9-18;/h3-14H,1-2H3;1H/q+1;/p-1
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n/an/an/an/a 8.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61814
PNG
(1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(2-nitroph...)
Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O5/c1-27-18-8-6-16(7-9-18)22-12-10-21(11-13-22)14-17(24)15-28-20-5-3-2-4-19(20)23(25)26/h2-9,17,24H,10-15H2,1H3
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n/an/an/an/a 9.49E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61826
PNG
(MLS000709642 | N-(1-pyridin-3-ylethyl)aniline | N-...)
Show SMILES CC(Nc1ccccc1)c1cccnc1
Show InChI InChI=1S/C13H14N2/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-11,15H,1H3
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61827
PNG
(2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carb...)
Show SMILES NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
Show InChI InChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61839
PNG
((4Z)-4-[[4-(2-chlorophenyl)-1-piperazinyl]-mercapt...)
Show SMILES COc1cc(cc(O)c1O)C(=S)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C18H19ClN2O3S/c1-24-16-11-12(10-15(22)17(16)23)18(25)21-8-6-20(7-9-21)14-5-3-2-4-13(14)19/h2-5,10-11,22-23H,6-9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61844
PNG
(8-(benzylthio)-7H-purine | 8-(phenylmethylsulfanyl...)
Show SMILES C(Sc1nc2ncncc2[nH]1)c1ccccc1
Show InChI InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)7-17-12-15-10-6-13-8-14-11(10)16-12/h1-6,8H,7H2,(H,13,14,15,16)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61794
PNG
(3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[...)
Show SMILES CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
Show InChI InChI=1S/C12H15BrN6O3S3/c1-2-23-12-19-18-11(24-12)17-9(20)3-4-16-25(21,22)8-5-7(13)6-15-10(8)14/h5-6,16H,2-4H2,1H3,(H2,14,15)(H,17,18,20)
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n/an/an/an/a 1.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/an/an/a 9.80E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61808
PNG
(2-(4-{[2-(4-hydroxyphenyl)ethyl]amino}-3-nitrophen...)
Show SMILES Oc1c2CC=CCc2c(O)n1-c1ccc(NCCc2ccc(O)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5/c26-16-8-5-14(6-9-16)11-12-23-19-10-7-15(13-20(19)25(29)30)24-21(27)17-3-1-2-4-18(17)22(24)28/h1-2,5-10,13,23,26-28H,3-4,11-12H2
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n/an/an/an/a 2.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61812
PNG
((6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlo...)
Show SMILES CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
Show InChI InChI=1S/C22H23ClN2O7/c1-13(2)7-19(24-21(26)14-3-5-17(23)6-4-14)22(27)31-11-16-9-18(25(28)29)8-15-10-30-12-32-20(15)16/h3-6,8-9,13,19H,7,10-12H2,1-2H3,(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61830
PNG
((4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[3,4-b]pyridin...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(-n2cccc2)c2c(C)cc(C)nc12
Show InChI InChI=1S/C20H18N4O/c1-13-6-8-16(9-7-13)20(25)24-18-17(14(2)12-15(3)21-18)19(22-24)23-10-4-5-11-23/h4-12H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61834
PNG
(4-[4-(difluoromethoxy)phenyl]-3-(2-furanylmethyl)-...)
Show SMILES OC1(CS\C(=N/c2cccnc2)N1Cc1ccco1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O3S/c21-18(22)28-16-7-5-14(6-8-16)20(26)13-29-19(24-15-3-1-9-23-11-15)25(20)12-17-4-2-10-27-17/h1-11,18,26H,12-13H2/b24-19-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61837
PNG
(4-[2-[(2,4-dipropoxyphenyl)methylidene]hydrazinyl]...)
Show SMILES CCCOc1ccc(CN=Nc2ccc(cc2)C(O)=O)c(OCCC)c1
Show InChI InChI=1S/C20H24N2O4/c1-3-11-25-18-10-7-16(19(13-18)26-12-4-2)14-21-22-17-8-5-15(6-9-17)20(23)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM54136
PNG
(2-[[(Z)-[1,3-diketo-2-[3-[(2-methoxyphenyl)sulfamo...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C30H23N3O7S/c1-40-27-16-7-6-15-26(27)32-41(38,39)20-10-8-9-19(17-20)33-28(34)22-12-3-2-11-21(22)24(29(33)35)18-31-25-14-5-4-13-23(25)30(36)37/h2-18,32,35H,1H3,(H,36,37)
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM58193
PNG
(1-(3,4-dichlorophenyl)-3-[2-[2,6-dinitro-4-(triflu...)
Show SMILES [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H12Cl2F3N5O4S/c17-10-2-1-9(7-11(10)18)24-15(31)23-4-3-22-14-12(25(27)28)5-8(16(19,20)21)6-13(14)26(29)30/h1-2,5-7,22H,3-4H2,(H2,23,24,31)
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n/an/an/an/a 6.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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n/an/an/an/a 3.07E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM39446
PNG
(MLS000036584 | N-[4-(1-benzofuran-2-yl)phenyl]acet...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C16H13NO2/c1-11(18)17-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,17,18)
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n/an/an/an/a 2.89E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61797
PNG
(MLS000046894 | N-(2-cyclohex-1-en-1-ylethyl)-6-[(d...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1
Show InChI InChI=1S/C22H29N3O4S/c1-3-25(4-2)30(28,29)17-10-11-20-18(14-17)21(26)19(15-24-20)22(27)23-13-12-16-8-6-5-7-9-16/h8,10-11,14-15H,3-7,9,12-13H2,1-2H3,(H,23,27)(H,24,26)
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n/an/an/an/a 1.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61811
PNG
((E)-2-(4-ethyl-1-pyridin-1-iumyl)-3-(3-methylanili...)
Show SMILES CCc1cc[n+](cc1)[C-](C(=S)Nc1cccc(C)c1)C(=O)c1ccc(C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H23N3O3S/c1-4-18-10-12-26(13-11-18)22(24(31)25-20-7-5-6-16(2)14-20)23(28)19-9-8-17(3)21(15-19)27(29)30/h5-15H,4H2,1-3H3,(H,25,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61819
PNG
(6-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methoxy...)
Show SMILES COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H23N3O5S/c1-30-12-4-10-23-22(27)18-14-24-19-8-7-16(13-17(19)21(18)26)31(28,29)25-11-9-15-5-2-3-6-20(15)25/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,23,27)(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61835
PNG
(MLS001003888 | N-[(6-fluoranyl-2,3-dihydrothiochro...)
Show SMILES Fc1ccc2SCCC(=NNc3ccccn3)c2c1
Show InChI InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
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n/an/an/an/a 1.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61836
PNG
(MLS000773678 | N-[[4-(difluoromethoxy)benzylidene]...)
Show SMILES FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42463
PNG
(MLS000876953 | SMR000440607 | cid_122811)
Show SMILES C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC2=O)[C@@H]2O[C@]12C
Show InChI InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61840
PNG
((3-fluoranyl-4-methoxy-phenyl)methyl 9-oxidanylide...)
Show SMILES COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
Show InChI InChI=1S/C20H17FN2O4/c1-26-17-7-4-12(9-15(17)21)11-27-20(25)13-5-6-14-16(10-13)22-18-3-2-8-23(18)19(14)24/h4-7,9-10H,2-3,8,11H2,1H3
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61843
PNG
(4-(2-imidazo[1,2-a]pyridinylmethoxy)benzoic acid |...)
Show SMILES OC(=O)c1ccc(OCc2cn3ccccc3n2)cc1
Show InChI InChI=1S/C15H12N2O3/c18-15(19)11-4-6-13(7-5-11)20-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2,(H,18,19)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61846
PNG
(MLS000762476 | N-(1H-Indazol-6-yl)-N'-(5-isopr...)
Show SMILES CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
Show InChI InChI=1S/C16H18N6O2S/c1-9(2)15-21-22-16(25-15)19-14(24)6-5-13(23)18-11-4-3-10-8-17-20-12(10)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,22,24)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/an/an/a 9.61E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM37642
PNG
(6-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]carbo...)
Show SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)
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n/an/an/an/a 2.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM36957
PNG
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)
Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM34406
PNG
(4-(5-methyl-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
Show InChI InChI=1S/C15H13N3O3S2/c1-3-21-14(20)9-4-6-10(7-5-9)18-12-11(23-15(18)22)13(19)17-8(2)16-12/h4-7H,3H2,1-2H3,(H,16,17,19)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
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n/an/an/an/a 1.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
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n/an/an/an/a 9.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61807
PNG
(1-(4,4,7,8-tetramethyl-1-thioxo-dithiolo[3,4-c]qui...)
Show SMILES Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C
Show InChI InChI=1S/C19H20N2OS5/c1-10-7-12-13(8-11(10)2)21(14(22)9-25-18-20-5-6-24-18)19(3,4)16-15(12)17(23)27-26-16/h7-8H,5-6,9H2,1-4H3
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n/an/an/an/a 2.22E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61809
PNG
((4-fluorophenyl)-[2-(2-furyl)imidazo[1,2-a]pyridin...)
Show SMILES Fc1ccc(Nc2c(nc3ccccn23)-c2ccco2)cc1
Show InChI InChI=1S/C17H12FN3O/c18-12-6-8-13(9-7-12)19-17-16(14-4-3-11-22-14)20-15-5-1-2-10-21(15)17/h1-11,19H
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n/an/an/an/a 6.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61810
PNG
(4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)ph...)
Show SMILES FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM56597
PNG
(5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(4-chloro...)
Show SMILES Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN5S/c24-16-10-12-17(13-11-16)29-22(25)21(15-6-2-1-3-7-15)20(28-29)14-30-23-26-18-8-4-5-9-19(18)27-23/h1-13H,14,25H2,(H,26,27)
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n/an/an/an/a 7.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61823
PNG
(2-(pyrrolidine-1-carbothioylsulfanyl)propanoic aci...)
Show SMILES CC(SC(=S)N1CCCC1)C(O)=O
Show InChI InChI=1S/C8H13NO2S2/c1-6(7(10)11)13-8(12)9-4-2-3-5-9/h6H,2-5H2,1H3,(H,10,11)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61832
PNG
(MLS001018614 | N,N-dimethyl-4-(2,4,6-triphenyl-1-p...)
Show SMILES CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H27N2/c1-32(2)28-18-20-29(21-19-28)33-30(25-14-8-4-9-15-25)22-27(24-12-6-3-7-13-24)23-31(33)26-16-10-5-11-17-26/h3-23H,1-2H3/q+1
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n/an/an/an/a 2.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61833
PNG
((E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-1-pyr...)
Show SMILES O=C(\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)N1CCCC1
Show InChI InChI=1S/C21H20N4O/c26-20(24-13-4-5-14-24)11-10-18-16-25(19-8-2-1-3-9-19)23-21(18)17-7-6-12-22-15-17/h1-3,6-12,15-16H,4-5,13-14H2/b11-10+
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61841
PNG
((Z)-3-(1-Acetyl-1H-indol-3-yl)-2-nitro-acrylic aci...)
Show SMILES COC(=O)C(=C\c1cn(C(C)=O)c2ccccc12)\[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O5/c1-9(17)15-8-10(11-5-3-4-6-12(11)15)7-13(16(19)20)14(18)21-2/h3-8H,1-2H3/b13-7-
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61845
PNG
(MLS000738149 | N-(5-chloranyl-2-methyl-phenyl)-3-o...)
Show SMILES Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)
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n/an/an/an/a 1.71E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61798
PNG
(MLS000058935 | N-(2,4-dimethoxyphenyl)-2,6-dimetho...)
Show SMILES COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1
Show InChI InChI=1S/C17H19NO5/c1-20-11-8-9-12(15(10-11)23-4)18-17(19)16-13(21-2)6-5-7-14(16)22-3/h5-10H,1-4H3,(H,18,19)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61804
PNG
(MLS000569792 | N-[3-(1H-benzimidazol-2-yl)-4,5,6,7...)
Show SMILES O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
Show InChI InChI=1S/C19H19N3OS/c23-18(11-9-10-11)22-19-16(12-5-1-4-8-15(12)24-19)17-20-13-6-2-3-7-14(13)21-17/h2-3,6-7,11H,1,4-5,8-10H2,(H,20,21)(H,22,23)
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n/an/an/an/a 1.73E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61816
PNG
(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
Show InChI InChI=1S/C24H21ClN4O3S/c1-13-18(12-21(30)26-24-28-27-22(33-24)14-3-4-14)19-11-17(32-2)9-10-20(19)29(13)23(31)15-5-7-16(25)8-6-15/h5-11,14H,3-4,12H2,1-2H3,(H,26,28,30)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61818
PNG
(3-methyl-5-nitro-1H-indole-2-carboxylic acid | MLS...)
Show SMILES Cc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H8N2O4/c1-5-7-4-6(12(15)16)2-3-8(7)11-9(5)10(13)14/h2-4,11H,1H3,(H,13,14)
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n/an/an/an/a 6.64E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM57782
PNG
(4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylide...)
Show SMILES CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O
Show InChI InChI=1S/C17H16N2O6S2/c1-4-8-18-16(21)13(27-17(18)26)9-11-6-7-12(25-10(3)20)15(24-5-2)14(11)19(22)23/h4,6-7,9H,1,5,8H2,2-3H3/b13-9-
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n/an/an/an/a 1.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61829
PNG
(2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N...)
Show SMILES COc1ccc(cc1OC)-n1nnnc1SCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H21N5O3S/c1-26-16-9-8-15(12-17(16)27-2)24-19(21-22-23-24)28-13-18(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
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n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM58040
PNG
(1-(4-Bromo-phenyl)-4,4,4-trifluoro-2-[(3-nitro-phe...)
Show SMILES [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1
Show InChI InChI=1S/C16H9BrF3N3O4/c17-10-6-4-9(5-7-10)14(24)13(15(25)16(18,19)20)22-21-11-2-1-3-12(8-11)23(26)27/h1-8,21H
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n/an/an/an/a 1.06E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%