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PubChem AID 1279

Compile data set for download or QSAR
Found 119 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)
BDBM42510
PNG
(1-[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl...)
Show SMILES COc1ccc(Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O/c1-26-20-14-11-19(12-15-20)17-25-22-10-6-5-9-21(22)24-23(25)16-13-18-7-3-2-4-8-18/h2-16H,17H2,1H3/b16-13+
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n/an/a 4.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42532
PNG
(2-[1-[(Z)-1-(4-chlorobenzoyl)-2-(2-furyl)vinyl]-2-...)
Show SMILES Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C21H12ClN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
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n/an/a 4.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42553
PNG
(1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethy...)
Show SMILES Cc1cccc(c1C)-n1ccnc1SCC(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C22H23N3OS/c1-16-7-5-11-19(17(16)2)25-14-12-23-22(25)27-15-21(26)24-13-6-9-18-8-3-4-10-20(18)24/h3-5,7-8,10-12,14H,6,9,13,15H2,1-2H3
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n/an/a 4.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42527
PNG
(2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl...)
Show SMILES Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-19-9-5-6-12-21(19)15-16-24-26-23-14-8-7-13-22(23)25(28)27(24)18-17-20-10-3-2-4-11-20/h2-16H,17-18H2,1H3/b16-15+
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42486
PNG
(1-[5-(3-Diethylamino-2-hydroxy-propoxy)-2-methyl-1...)
Show SMILES CCN(CC)CC(O)COc1ccc2n(c(C)c(C(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-5-25(6-2)15-20(28)16-29-21-12-13-23-22(14-21)24(18(4)27)17(3)26(23)19-10-8-7-9-11-19/h7-14,20,28H,5-6,15-16H2,1-4H3
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n/an/a 4.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42506
PNG
(5-(2-morpholin-4-ylethylamino)quinazolino[2,3-a]ph...)
Show SMILES O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12
Show InChI InChI=1S/C21H21N5O2/c27-21-17-7-3-4-8-18(17)23-20-16-6-2-1-5-15(16)19(24-26(20)21)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,24)
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n/an/a 4.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42494
PNG
(5-(2,4-dichlorophenyl)-N-[2-(4-methyl-1-piperaziny...)
Show SMILES CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H21Cl2N3O2/c1-26-10-12-27(13-11-26)19-5-3-2-4-18(19)25-22(28)21-9-8-20(29-21)16-7-6-15(23)14-17(16)24/h2-9,14H,10-13H2,1H3,(H,25,28)
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n/an/a 4.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 4.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42550
PNG
(MLS000590791 | N-[2-(4-Chloro-phenyl)-ethyl]-2-[3-...)
Show SMILES COc1cccc(c1)-c1ccc(C#N)c(SCC(=O)NCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H20ClN3O2S/c1-29-20-4-2-3-17(13-20)21-10-7-18(14-25)23(27-21)30-15-22(28)26-12-11-16-5-8-19(24)9-6-16/h2-10,13H,11-12,15H2,1H3,(H,26,28)
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n/an/a 4.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM35515
PNG
(2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimid...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C19H16N6O4/c1-28-19(27)11-6-2-3-7-12(11)21-15(26)10-25-14-9-5-4-8-13(14)22-18(25)16-17(20)24-29-23-16/h2-9H,10H2,1H3,(H2,20,24)(H,21,26)
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n/an/a 4.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42552
PNG
(2-methyl-5-[2-naphthalenylsulfonyl-[oxo(pyridin-4-...)
Show SMILES COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H20N2O6S/c1-17-25(27(31)34-2)23-16-21(8-10-24(23)35-17)29(26(30)19-11-13-28-14-12-19)36(32,33)22-9-7-18-5-3-4-6-20(18)15-22/h3-16H,1-2H3
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n/an/a 4.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42522
PNG
(MLS000570445 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1ccc(cc1)-c1cc(C(=O)Nc2ccc3OCCOc3c2)c2ccccc2n1
Show InChI InChI=1S/C25H20N2O3/c1-16-6-8-17(9-7-16)22-15-20(19-4-2-3-5-21(19)27-22)25(28)26-18-10-11-23-24(14-18)30-13-12-29-23/h2-11,14-15H,12-13H2,1H3,(H,26,28)
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n/an/a 5.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42554
PNG
(1-[(2-chlorobenzylidene)amino]-3-phenethyl-thioure...)
Show SMILES Clc1ccccc1C=NNC(=S)NCCc1ccccc1
Show InChI InChI=1S/C16H16ClN3S/c17-15-9-5-4-8-14(15)12-19-20-16(21)18-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,20,21)
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n/an/a 5.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42556
PNG
(3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthal...)
Show SMILES Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H16Cl2N4S/c21-17-9-4-10-18(22)16(17)12-27-20-25-24-19(26(20)23)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12,23H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42481
PNG
(5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(4-meth...)
Show SMILES COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(C)c2)n1
Show InChI InChI=1S/C17H15ClN2O3/c1-11-9-14(7-8-15(11)18)22-10-16-19-17(20-23-16)12-3-5-13(21-2)6-4-12/h3-9H,10H2,1-2H3
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n/an/a 5.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 5.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42495
PNG
(2-[2-[(benzylamino)methyl]phenoxy]-N-phenyl-acetam...)
Show SMILES O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C22H22N2O2/c25-22(24-20-12-5-2-6-13-20)17-26-21-14-8-7-11-19(21)16-23-15-18-9-3-1-4-10-18/h1-14,23H,15-17H2,(H,24,25)
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n/an/a 5.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42507
PNG
(5-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]f...)
Show SMILES COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1
Show InChI InChI=1S/C21H16N2O4S/c1-26-20(25)18-12-11-15(27-18)13-28-21-22-17-10-6-5-9-16(17)19(24)23(21)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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n/an/a 5.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42549
PNG
(5-[1-(3,3-Diphenyl-propylamino)-propylidene]-1,3-d...)
Show SMILES CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O
Show InChI InChI=1S/C24H27N3O3/c1-4-20(21-22(28)26(2)24(30)27(3)23(21)29)25-16-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,25H,4,15-16H2,1-3H3
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n/an/a 5.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42518
PNG
(3-[(3,4-dichlorobenzyl)sulfanyl]-5,6-dihydrobenzo[...)
Show SMILES Clc1ccc(CSc2cc3CCc4ccccc4-c3nn2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N2S/c20-16-8-5-12(9-17(16)21)11-24-18-10-14-7-6-13-3-1-2-4-15(13)19(14)23-22-18/h1-5,8-10H,6-7,11H2
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n/an/a 5.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42521
PNG
(4-[(4-tert-butylbenzoyl)amino]-5-chloro-2-methoxy-...)
Show SMILES COC(=O)c1cc(Cl)c(NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
Show InChI InChI=1S/C20H22ClNO4/c1-20(2,3)13-8-6-12(7-9-13)18(23)22-16-11-17(25-4)14(10-15(16)21)19(24)26-5/h6-11H,1-5H3,(H,22,23)
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42545
PNG
(2-(4-bromobenzyl)oxy-N-(2-furfurylideneamino)benza...)
Show SMILES Brc1ccc(COc2ccccc2C(=O)NN=Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN2O3/c20-15-9-7-14(8-10-15)13-25-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-24-16/h1-12H,13H2,(H,22,23)
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n/an/a 5.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM41946
PNG
(3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-(phe...)
Show SMILES Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C17H19BrClNO/c1-13-10-15(18)17(16(19)11-13)21-9-5-8-20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,20H,5,8-9,12H2,1H3
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n/an/a 5.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42516
PNG
(2-(4-chlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,...)
Show SMILES Cc1nc(sc1C(=O)CSc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C18H14ClNOS2/c1-12-17(23-18(20-12)13-5-3-2-4-6-13)16(21)11-22-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42528
PNG
((E)-3-(1-naphthalenyl)-1-pyridin-4-yl-2-propen-1-o...)
Show SMILES O=C(\C=C\c1cccc2ccccc12)c1ccncc1
Show InChI InChI=1S/C18H13NO/c20-18(16-10-12-19-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-13H/b9-8+
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n/an/a 5.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42493
PNG
(4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-6-ethoxy-...)
Show SMILES CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(n1)N(C)C
Show InChI InChI=1S/C15H18Cl2N4O2S/c1-4-22-14-18-13(21(2)3)19-15(20-14)24-8-7-23-12-6-5-10(16)9-11(12)17/h5-6,9H,4,7-8H2,1-3H3
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n/an/a 5.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42472
PNG
(4-(2-methylpropoxy)benzoic acid [5-[(dimethylamino...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)OC1CC(C)(C)OCC1CN(C)C
Show InChI InChI=1S/C21H33NO4/c1-15(2)13-24-18-9-7-16(8-10-18)20(23)26-19-11-21(3,4)25-14-17(19)12-22(5)6/h7-10,15,17,19H,11-14H2,1-6H3
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n/an/a 5.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42464
PNG
(2-[(5-p-cumenyltetrazol-2-yl)methyl]-1,3-benzothia...)
Show SMILES CC(C)c1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
Show InChI InChI=1S/C18H17N5S/c1-12(2)13-7-9-14(10-8-13)18-20-22-23(21-18)11-17-19-15-5-3-4-6-16(15)24-17/h3-10,12H,11H2,1-2H3
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n/an/a 5.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42530
PNG
(2-[(3,4-dichlorobenzyl)thio]-6-(3-pyridyl)nicotino...)
Show SMILES Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)cc1Cl
Show InChI InChI=1S/C18H11Cl2N3S/c19-15-5-3-12(8-16(15)20)11-24-18-13(9-21)4-6-17(23-18)14-2-1-7-22-10-14/h1-8,10H,11H2
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42529
PNG
(2-[(2,6-dichlorobenzyl)thio]-N-(2-phenylphenyl)ace...)
Show SMILES Clc1cccc(Cl)c1CSCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17Cl2NOS/c22-18-10-6-11-19(23)17(18)13-26-14-21(25)24-20-12-5-4-9-16(20)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42569
PNG
(4-phenylbenzoic acid [2-keto-2-(2-phenylanilino)et...)
Show SMILES O=C(COC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H21NO3/c29-26(28-25-14-8-7-13-24(25)22-11-5-2-6-12-22)19-31-27(30)23-17-15-21(16-18-23)20-9-3-1-4-10-20/h1-18H,19H2,(H,28,29)
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n/an/a 5.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42563
PNG
(2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2,6-diet...)
Show SMILES CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C26H24N2O3S/c1-3-17-10-9-11-18(4-2)24(17)28-23(29)16-31-26(30)20-13-6-5-12-19(20)25-27-21-14-7-8-15-22(21)32-25/h5-15H,3-4,16H2,1-2H3,(H,28,29)
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n/an/a 5.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42568
PNG
((Z)-2-methyl-2-butenoic acid [(8S,9R)-8-[2-[(Z)-2-...)
Show SMILES C\C=C(\C)C(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C(\C)=C/C
Show InChI InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21+/m1/s1
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n/an/a 5.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42571
PNG
(MLS000702751 | N,N-dimethyl-1-(2-naphthalen-1-ylsu...)
Show SMILES CN(C)Cc1ccccc1Sc1cccc2ccccc12
Show InChI InChI=1S/C19H19NS/c1-20(2)14-16-9-4-6-12-18(16)21-19-13-7-10-15-8-3-5-11-17(15)19/h3-13H,14H2,1-2H3
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n/an/a 6.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42557
PNG
((E)-3-(4-chlorophenyl)-2-propenoic acid [2-oxo-2-(...)
Show SMILES Clc1ccc(\C=C\C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C23H18ClNO3/c24-19-13-10-17(11-14-19)12-15-23(27)28-16-22(26)25-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-15H,16H2,(H,25,26)/b15-12+
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n/an/a 6.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42540
PNG
(1-(2-Dimethylamino-ethyl)-1-(6,8-dimethyl-2-oxo-1,...)
Show SMILES CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C24H30N4OS/c1-16-7-6-8-21(13-16)25-24(30)28(10-9-27(4)5)15-20-14-19-12-17(2)11-18(3)22(19)26-23(20)29/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,30)(H,26,29)
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n/an/a 6.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42498
PNG
(MLS000520555 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1C
Show InChI InChI=1S/C28H34N4O2/c1-21-9-6-11-25(23(21)3)31-18-16-30(17-19-31)15-13-29-27(33)20-32-14-7-12-26(32)28(34)24-10-5-4-8-22(24)2/h4-12,14H,13,15-20H2,1-3H3,(H,29,33)
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n/an/a 6.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42491
PNG
(2-methylpropyl 9-hydroxyiminofluorene-4-carboxylat...)
Show SMILES CC(C)COC(=O)c1cccc2C(N=O)c3ccccc3-c12
Show InChI InChI=1S/C18H17NO3/c1-11(2)10-22-18(20)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)19-21/h3-9,11,17H,10H2,1-2H3
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n/an/a 6.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42480
PNG
(5-(1-azepanyl)-2-[(4-chlorophenoxy)methyl]-1,3-oxa...)
Show SMILES Clc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-5-7-14(8-6-13)22-12-16-20-15(11-19)17(23-16)21-9-3-1-2-4-10-21/h5-8H,1-4,9-10,12H2
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n/an/a 6.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42519
PNG
(MLS000546241 | N-(4-chlorophenyl)-2-phenyl-1,3-thi...)
Show SMILES Clc1ccc(NC(=O)c2csc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H11ClN2OS/c17-12-6-8-13(9-7-12)18-15(20)14-10-21-16(19-14)11-4-2-1-3-5-11/h1-10H,(H,18,20)
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n/an/a 6.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42474
PNG
(5-[[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothi...)
Show SMILES COC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2C)o1
Show InChI InChI=1S/C18H18N2O4S2/c1-20-16(21)14-11-5-3-4-6-13(11)26-15(14)19-18(20)25-9-10-7-8-12(24-10)17(22)23-2/h7-8H,3-6,9H2,1-2H3
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n/an/a 6.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42517
PNG
(2-[(2-chlorobenzyl)thio]-5-[(E)-styryl]-1,3,4-oxad...)
Show SMILES Clc1ccccc1CSc1nnc(\C=C\c2ccccc2)o1
Show InChI InChI=1S/C17H13ClN2OS/c18-15-9-5-4-8-14(15)12-22-17-20-19-16(21-17)11-10-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+
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n/an/a 6.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42501
PNG
(1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-...)
Show SMILES COc1cc(C=Nn2cnnc2)ccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C18H18N4O2/c1-14-3-5-15(6-4-14)11-24-17-8-7-16(9-18(17)23-2)10-21-22-12-19-20-13-22/h3-10,12-13H,11H2,1-2H3
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n/an/a 7.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42509
PNG
(1-(3,4-dimethylphenyl)ethanone O-(4-isopropoxybenz...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)ON=C(C)c1ccc(C)c(C)c1
Show InChI InChI=1S/C20H23NO3/c1-13(2)23-19-10-8-17(9-11-19)20(22)24-21-16(5)18-7-6-14(3)15(4)12-18/h6-13H,1-5H3
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n/an/a 7.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42465
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
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n/an/a 7.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42477
PNG
(MLS000047576 | N-(1,3-benzodioxol-5-yl)-3-(4-metho...)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)Nc2ccc3OCOc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C23H17N3O5/c1-29-16-9-7-15(8-10-16)26-23(28)18-5-3-2-4-17(18)21(25-26)22(27)24-14-6-11-19-20(12-14)31-13-30-19/h2-12H,13H2,1H3,(H,24,27)
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n/an/a 7.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42471
PNG
(2-methyl-4-(4-methyl-1-piperidinyl)benzofuro[3,2-d...)
Show SMILES CC1CCN(CC1)c1nc(C)nc2c3ccccc3oc12
Show InChI InChI=1S/C17H19N3O/c1-11-7-9-20(10-8-11)17-16-15(18-12(2)19-17)13-5-3-4-6-14(13)21-16/h3-6,11H,7-10H2,1-2H3
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n/an/a 7.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42551
PNG
(MLS000591206 | N-[5-(2,5-Dichloro-benzyl)-thiazol-...)
Show SMILES Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1
Show InChI InChI=1S/C18H16Cl2N2O2S/c1-11-2-4-14(24-11)5-7-17(23)22-18-21-10-15(25-18)9-12-8-13(19)3-6-16(12)20/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,22,23)
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n/an/a 7.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42533
PNG
(Dimethyl-[3-(2-phenyl-6,7-dihydro-5H-cyclopentapyr...)
Show SMILES CN(C)CCCSc1nc(nc2CCCc12)-c1ccccc1
Show InChI InChI=1S/C18H23N3S/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 7.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42537
PNG
(MLS000573566 | N-[2-(4-chloranylphenoxy)ethyl]-N'-...)
Show SMILES Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
Show InChI InChI=1S/C18H19ClN2O3/c1-12-3-8-16(13(2)11-12)21-18(23)17(22)20-9-10-24-15-6-4-14(19)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 7.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42469
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN4OS/c20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16/h1-11H,12-13H2
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n/an/a 7.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42502
PNG
(MLS000535278 | N-(2,4-dimethoxyphenyl)-2-({4-oxo-3...)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1
Show InChI InChI=1S/C26H32N4O4S/c1-33-19-11-12-22(23(17-19)34-2)27-24(31)18-35-26-28-21-10-5-4-9-20(21)25(32)30(26)16-8-15-29-13-6-3-7-14-29/h4-5,9-12,17H,3,6-8,13-16,18H2,1-2H3,(H,27,31)
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n/an/a 7.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42546
PNG
(6-[5-[[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-y...)
Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1
Show InChI InChI=1S/C24H28N6O4S/c1-4-34-19(32)12-8-7-11-18(31)21-16(25-23(33)26-21)13-35-24-27-22-20(28-29-24)15-9-5-6-10-17(15)30(22)14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H2,25,26,33)
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n/an/a 7.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42564
PNG
(MLS000698938 | N-(4-bromo-2-methylphenyl)-N'-h...)
Show SMILES CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C
Show InChI InChI=1S/C14H19BrN2OS/c1-3-4-5-6-13(18)17-14(19)16-12-8-7-11(15)9-10(12)2/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19)
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n/an/a 7.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42508
PNG
(3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-...)
Show SMILES Oc1cccc(c1)-c1nc2ccc3ccccc3c2c2CCCc12
Show InChI InChI=1S/C22H17NO/c24-16-7-3-6-15(13-16)22-19-10-4-9-18(19)21-17-8-2-1-5-14(17)11-12-20(21)23-22/h1-3,5-8,11-13,24H,4,9-10H2
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n/an/a 7.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42513
PNG
((E)-1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-2-...)
Show SMILES Clc1cccc(\C=C\C(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H11ClN2O/c17-12-5-3-4-11(10-12)8-9-15(20)16-18-13-6-1-2-7-14(13)19-16/h1-10H,(H,18,19)/b9-8+
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n/an/a 7.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42558
PNG
(4-[[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]methyl]...)
Show SMILES COC(=O)c1cc2occc2n1Cc1nc(oc1C)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-5-3-4-6-13(12)20)10-22-15-7-8-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42470
PNG
(2-(3,4-dimethoxyphenyl)-5-(1-phenylethylamino)-1,3...)
Show SMILES COc1ccc(cc1OC)-c1nc(C#N)c(NC(C)c2ccccc2)o1
Show InChI InChI=1S/C20H19N3O3/c1-13(14-7-5-4-6-8-14)22-20-16(12-21)23-19(26-20)15-9-10-17(24-2)18(11-15)25-3/h4-11,13,22H,1-3H3
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n/an/a 7.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42505
PNG
(4-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-phenyl)-5-ph...)
Show SMILES COc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccc(OC)c(OC)c1)c1ccccc1
Show InChI InChI=1S/C26H23N3O4/c1-31-19-12-9-16(10-13-19)23-22-24(28-27-23)26(30)29(18-7-5-4-6-8-18)25(22)17-11-14-20(32-2)21(15-17)33-3/h4-15,25H,1-3H3,(H,27,28)
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42484
PNG
(5-chloranyl-2-(3,4-dihydro-1H-isochromen-3-ylmethy...)
Show SMILES ClC1=CCC2C(C1)C(=O)N(CC1Cc3ccccc3CO1)C2=O
Show InChI InChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2
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n/an/a 7.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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n/an/a 7.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42542
PNG
((4-Chloro-benzylsulfanyl)-acetic acid (2,6-dichlor...)
Show SMILES Clc1ccc(CSCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C16H13Cl3N2OS/c17-12-6-4-11(5-7-12)9-23-10-16(22)21-20-8-13-14(18)2-1-3-15(13)19/h1-8H,9-10H2,(H,21,22)
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n/an/a 8.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42565
PNG
(4-(2-bromanyl-4-methyl-phenoxy)-N-methyl-N-(phenyl...)
Show SMILES CN(CCCCOc1ccc(C)cc1Br)Cc1ccccc1
Show InChI InChI=1S/C19H24BrNO/c1-16-10-11-19(18(20)14-16)22-13-7-6-12-21(2)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
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n/an/a 8.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42492
PNG
((4-bromophenyl)methyl 3-(4,5-diphenyl-1,3-oxazol-2...)
Show SMILES Brc1ccc(COC(=O)CCc2nc(c(o2)-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20BrNO3/c26-21-13-11-18(12-14-21)17-29-23(28)16-15-22-27-24(19-7-3-1-4-8-19)25(30-22)20-9-5-2-6-10-20/h1-14H,15-17H2
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n/an/a 8.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42466
PNG
(2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2...)
Show SMILES O=C(CN(Cc1ccc2OCOc2c1)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1
Show InChI InChI=1S/C25H27N3O5S/c29-23(26-18-6-2-1-3-7-18)14-28(13-17-10-11-21-22(12-17)32-16-31-21)24(30)15-34-25-27-19-8-4-5-9-20(19)33-25/h4-5,8-12,18H,1-3,6-7,13-16H2,(H,26,29)
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n/an/a 8.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42547
PNG
(6-Fluoro-2-methyl-quinoline-3-carboxylic acid (3,4...)
Show SMILES Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H11Cl2FN2O/c1-9-13(7-10-6-11(20)2-5-16(10)21-9)17(23)22-12-3-4-14(18)15(19)8-12/h2-8H,1H3,(H,22,23)
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n/an/a 8.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42555
PNG
(MLS000334034 | N-[[5-(4-ethoxyphenoxy)-3-methyl-1-...)
Show SMILES CCOc1ccc(Oc2c(C=NNC(C)=O)c(C)nn2-c2ccccc2)cc1
Show InChI InChI=1S/C21H22N4O3/c1-4-27-18-10-12-19(13-11-18)28-21-20(14-22-23-16(3)26)15(2)24-25(21)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,23,26)
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n/an/a 8.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42515
PNG
(MLS000326567 | N-phenylcarbamic acid [5-(2-chlorop...)
Show SMILES Clc1ccccc1-c1cc(COC(=O)Nc2ccccc2)no1
Show InChI InChI=1S/C17H13ClN2O3/c18-15-9-5-4-8-14(15)16-10-13(20-23-16)11-22-17(21)19-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21)
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42490
PNG
(5-[2-(4-Chloro-phenoxy)-ethylsulfanyl]-1-cyclohexy...)
Show SMILES Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
Show InChI InChI=1S/C15H19ClN4OS/c16-12-6-8-14(9-7-12)21-10-11-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
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n/an/a 9.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42520
PNG
((3-benzoxy-4-methoxy-benzyl)-[2-(2-methoxyphenyl)e...)
Show SMILES COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
Show InChI InChI=1S/C24H27NO3/c1-26-22-11-7-6-10-21(22)14-15-25-17-20-12-13-23(27-2)24(16-20)28-18-19-8-4-3-5-9-19/h3-13,16,25H,14-15,17-18H2,1-2H3
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n/an/a 9.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42483
PNG
(2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1...)
Show SMILES COc1ccc(cc1)-c1nnc2sc(nn12)C(C)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H15N5O3S/c1-11(24-18(26)14-5-3-4-6-15(14)19(24)27)17-23-25-16(21-22-20(25)29-17)12-7-9-13(28-2)10-8-12/h3-11H,1-2H3
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n/an/a 9.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42503
PNG
(1-[4-(4-benzoxyphenoxy)butyl]piperidine;oxalic aci...)
Show SMILES C(CCN1CCCCC1)COc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO2/c1-3-9-20(10-4-1)19-25-22-13-11-21(12-14-22)24-18-8-7-17-23-15-5-2-6-16-23/h1,3-4,9-14H,2,5-8,15-19H2
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n/an/a 9.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42473
PNG
(6-(3,4-dichlorophenyl)-3-(1,4,5,6-tetrahydrocyclop...)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12
Show InChI InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)
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n/an/a 9.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42526
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphen...)
Show SMILES Cc1ccc(NC(=S)NCc2ccc3OCOc3c2)cc1C
Show InChI InChI=1S/C17H18N2O2S/c1-11-3-5-14(7-12(11)2)19-17(22)18-9-13-4-6-15-16(8-13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H2,18,19,22)
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n/an/a 9.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42541
PNG
(1-Benzyl-4-phenyl-decahydro-quinolin-4-ol | 1-benz...)
Show SMILES OC1(CCN(Cc2ccccc2)C2CCCCC12)c1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22(19-11-5-2-6-12-19)15-16-23(17-18-9-3-1-4-10-18)21-14-8-7-13-20(21)22/h1-6,9-12,20-21,24H,7-8,13-17H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42535
PNG
(2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propa...)
Show SMILES CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H18ClNOS/c1-15(25-18-13-11-17(22)12-14-18)21(24)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42543
PNG
(2-[(4-acetamidophenyl)sulfonyl-(2-phenylethyl)amin...)
Show SMILES COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC
Show InChI InChI=1S/C27H30N4O6S/c1-20(32)29-23-10-12-24(13-11-23)38(34,35)31(16-15-21-7-5-4-6-8-21)19-27(33)30-28-18-22-9-14-25(36-2)26(17-22)37-3/h4-14,17-18H,15-16,19H2,1-3H3,(H,29,32)(H,30,33)
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM39746
PNG
(MLS000324942 | SMR000163429 | [9-(diphenylphosphor...)
Show SMILES O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38O2P2/c34-36(30-20-10-6-11-21-30,31-22-12-7-13-23-31)28-18-4-2-1-3-5-19-29-37(35,32-24-14-8-15-25-32)33-26-16-9-17-27-33/h6-17,20-27H,1-5,18-19,28-29H2
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42487
PNG
(2-(ethylthio)-6-methoxy-3-quinolinecarbonitrile | ...)
Show SMILES CCSc1nc2ccc(OC)cc2cc1C#N
Show InChI InChI=1S/C13H12N2OS/c1-3-17-13-10(8-14)6-9-7-11(16-2)4-5-12(9)15-13/h4-7H,3H2,1-2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42479
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4...)
Show SMILES O=C(CSc1nc2ccccc2o1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13NO4S/c19-13(11-5-6-15-16(9-11)21-8-7-20-15)10-23-17-18-12-3-1-2-4-14(12)22-17/h1-6,9H,7-8,10H2
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42538
PNG
((phenylmethyl) 2-[3-(2-methoxyphenyl)-4-oxidanylid...)
Show SMILES CCC(Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H24O6/c1-3-23(27(29)32-16-18-9-5-4-6-10-18)33-19-13-14-21-25(15-19)31-17-22(26(21)28)20-11-7-8-12-24(20)30-2/h4-15,17,23H,3,16H2,1-2H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM38445
PNG
(MLS000066749 | N-allyl-2-(1-pyrrolidinyl)-4-quinaz...)
Show SMILES C=CCNc1nc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C15H18N4/c1-2-9-16-14-12-7-3-4-8-13(12)17-15(18-14)19-10-5-6-11-19/h2-4,7-8H,1,5-6,9-11H2,(H,16,17,18)
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42482
PNG
((5-bromanylfuran-2-yl)-[2-[(3-methylphenyl)methyls...)
Show SMILES Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1
Show InChI InChI=1S/C16H15BrN2O2S/c1-11-3-2-4-12(9-11)10-22-16-18-7-8-19(16)15(20)13-5-6-14(17)21-13/h2-6,9H,7-8,10H2,1H3
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n/an/a<1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42512
PNG
((5,5-Diphenyl-hex-2-ynyl)-diethyl-amine | 5,5-diph...)
Show SMILES CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27N/c1-4-23(5-2)19-13-12-18-22(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-11,14-17H,4-5,18-19H2,1-3H3
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n/an/a<1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42499
PNG
(MLS000537382 | N-(6-ethoxy-1,3-benzothiazol-2-yl)-...)
Show SMILES CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
Show InChI InChI=1S/C18H18N2O4S2/c1-3-24-13-6-9-15-16(10-13)25-18(19-15)20-17(21)11-26(22,23)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,20,21)
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n/an/a>1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42476
PNG
(2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-th...)
Show SMILES C(Sc1nnc(o1)-c1cccs1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C16H11N3OS3/c1-2-5-11(6-3-1)15-17-12(9-22-15)10-23-16-19-18-14(20-16)13-7-4-8-21-13/h1-9H,10H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42511
PNG
((6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acet...)
Show SMILES CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1
Show InChI InChI=1S/C19H19BrN2O2/c1-3-17-21-16-10-9-14(20)11-15(16)19(13-7-5-4-6-8-13)22(17)12-18(23)24-2/h4-11,19H,3,12H2,1-2H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42567
PNG
(2-butoxy-3-phenyl-4(3H)-quinazolinone | 2-butoxy-3...)
Show SMILES CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H18N2O2/c1-2-3-13-22-18-19-16-12-8-7-11-15(16)17(21)20(18)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42536
PNG
(2-(4-chloranylphenoxy)-N-[2-[(3-methylphenyl)methy...)
Show SMILES Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H20ClNO2S/c1-14-3-2-4-15(11-14)13-23-10-9-20-18(21)12-22-17-7-5-16(19)6-8-17/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)
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n/an/a 1.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42475
PNG
(2-[[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]methy...)
Show SMILES Clc1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
Show InChI InChI=1S/C15H10ClN5S/c16-11-7-5-10(6-8-11)15-18-20-21(19-15)9-14-17-12-3-1-2-4-13(12)22-14/h1-8H,9H2
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42573
PNG
(1-methyl-4-(2-phenylsulfanylphenoxy)piperidine;oxa...)
Show SMILES CN1CCC(CC1)Oc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-19-13-11-15(12-14-19)20-17-9-5-6-10-18(17)21-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42544
PNG
(3-(4-butoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one ...)
Show SMILES CCCCOc1ccc(cc1)C1=NNC(=O)CC1
Show InChI InChI=1S/C14H18N2O2/c1-2-3-10-18-12-6-4-11(5-7-12)13-8-9-14(17)16-15-13/h4-7H,2-3,8-10H2,1H3,(H,16,17)
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42572
PNG
(MLS000705653 | N-[4-(hexylsulfamoyl)phenyl]-2-oxol...)
Show SMILES CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
Show InChI InChI=1S/C17H26N2O4S/c1-2-3-4-5-12-18-24(21,22)15-10-8-14(9-11-15)19-17(20)16-7-6-13-23-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42514
PNG
(5-(butylcarbamoyl)-3-[(2-fluorophenyl)sulfanylmeth...)
Show SMILES CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(O)=O
Show InChI InChI=1S/C16H17FN2O4S/c1-2-3-8-18-15(20)14-13(16(21)22)11(19-23-14)9-24-12-7-5-4-6-10(12)17/h4-7H,2-3,8-9H2,1H3,(H,18,20)(H,21,22)
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n/an/a 1.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42548
PNG
((Z)-2-Benzoylamino-3-(9-methyl-9H-carbazol-3-yl)-a...)
Show SMILES CC(C)OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc2n(C)c3ccccc3c2c1
Show InChI InChI=1S/C26H24N2O3/c1-17(2)31-26(30)22(27-25(29)19-9-5-4-6-10-19)16-18-13-14-24-21(15-18)20-11-7-8-12-23(20)28(24)3/h4-17H,1-3H3,(H,27,29)/b22-16-
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n/an/a 1.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42504
PNG
(2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthala...)
Show SMILES CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c1-16-13-14-20(15-23(16)33(31,32)29-17(2)19-9-5-4-6-10-19)24-21-11-7-8-12-22(21)25-27-26-18(3)30(25)28-24/h4-15,17,29H,1-3H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42570
PNG
(4-keto-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3...)
Show SMILES COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H22N4O5S/c1-30-17-10-9-14(13-18(17)31(28,29)25-11-5-2-6-12-25)22-21(27)19-15-7-3-4-8-16(15)20(26)24-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,27)(H,24,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42560
PNG
(MLS000700566 | N'-[3-nitro-4-(4-morpholinyl)be...)
Show SMILES CCCCC(=O)N\N=C\c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H22N4O4/c1-2-3-4-16(21)18-17-12-13-5-6-14(15(11-13)20(22)23)19-7-9-24-10-8-19/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21)/b17-12+
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n/an/a 2.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42559
PNG
(MLS000391721 | SMR000260756 | cid_2330392)
Show SMILES Nc1c2CCCCCCc2nc2sc3CCCCc3c12
Show InChI InChI=1S/C17H22N2S/c18-16-11-7-3-1-2-4-9-13(11)19-17-15(16)12-8-5-6-10-14(12)20-17/h1-10H2,(H2,18,19)
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n/an/a 2.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42468
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES OC(Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N)c1ccco1
Show InChI InChI=1S/C20H18ClN3O2/c21-15-9-7-14(8-10-15)12-23-16-4-1-2-5-17(16)24(20(23)22)13-18(25)19-6-3-11-26-19/h1-11,18,22,25H,12-13H2
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42500
PNG
(MLS000519710 | N-(3-chlorophenyl)-1-keto-6,7-dimet...)
Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cl)c2)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C26H23ClN2O5/c1-4-34-19-10-8-18(9-11-19)29-15-22(25(30)28-17-7-5-6-16(27)12-17)20-13-23(32-2)24(33-3)14-21(20)26(29)31/h5-15H,4H2,1-3H3,(H,28,30)
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42575
PNG
(1-(diphenylmethyl)-4-[4-(2-methoxyphenoxy)butyl]pi...)
Show SMILES COc1ccccc1OCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H34N2O2/c1-31-26-16-8-9-17-27(26)32-23-11-10-18-29-19-21-30(22-20-29)28(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-9,12-17,28H,10-11,18-23H2,1H3
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42561
PNG
((4-benzhydrylpiperazin-1-yl)-[1-[(4-chlorophenyl)m...)
Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34ClN3O/c31-28-13-11-24(12-14-28)23-32-17-15-27(16-18-32)30(35)34-21-19-33(20-22-34)29(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27,29H,15-23H2
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42562
PNG
(4-[(5-bromanyl-2,4-dimethoxy-phenyl)methylideneami...)
Show SMILES CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(OC)cc1OC
Show InChI InChI=1S/C13H15BrN4O2S/c1-4-12-16-17-13(21)18(12)15-7-8-5-9(14)11(20-3)6-10(8)19-2/h5-7H,4H2,1-3H3,(H,17,21)
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n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42485
PNG
(4-methyl-7-[3-[4-(2-methylphenyl)-1-piperazinyl]pr...)
Show SMILES Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O3/c1-18-6-3-4-7-22(18)26-13-11-25(12-14-26)10-5-15-28-20-8-9-21-19(2)16-24(27)29-23(21)17-20/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42489
PNG
(5',5',7'-trimethylspiro[1,3-dithiole-2,1'-6H-thiop...)
Show SMILES COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2c2cccc(C)c2NC1(C)C)C(=O)OC)C(=O)OC
Show InChI InChI=1S/C25H25NO8S3/c1-11-9-8-10-12-13-19(24(2,3)26-15(11)12)35-16(21(28)32-5)14(20(27)31-4)25(13)36-17(22(29)33-6)18(37-25)23(30)34-7/h8-10,26H,1-7H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42524
PNG
(3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-ph...)
Show SMILES Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42539
PNG
(4-(Hydroxy-diphenyl-methyl)-piperidine-1-carbothio...)
Show SMILES CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N2O2S/c1-2-31-25-15-13-24(14-16-25)28-26(32)29-19-17-23(18-20-29)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3,(H,28,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42478
PNG
(2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,...)
Show SMILES COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)Cc2ccccc2OC)cc1
Show InChI InChI=1S/C24H21N3O4/c1-29-20-8-5-7-18(14-20)24-26-23(27-31-24)16-10-12-19(13-11-16)25-22(28)15-17-6-3-4-9-21(17)30-2/h3-14H,15H2,1-2H3,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42488
PNG
((5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-ylsulf...)
Show SMILES OC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C11H8N2O5S/c14-9(15)4-19-11-13-12-10(18-11)6-1-2-7-8(3-6)17-5-16-7/h1-3H,4-5H2,(H,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42523
PNG
(4-methyl-N-[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-e...)
Show SMILES C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C21H18N2O2S2/c1-14-8-10-17(11-9-14)19(24)22-23-20(25)18(27-21(23)26)13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)/b15-12+,18-13-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42525
PNG
(4-chloranyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2...)
Show SMILES Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C27H23ClN2O3S/c1-18-12-13-19(2)25(16-18)30-34(32,33)26-17-21(14-15-23(26)28)27(31)29-24-11-7-6-10-22(24)20-8-4-3-5-9-20/h3-17,30H,1-2H3,(H,29,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42496
PNG
(1-(3-methylphenyl)-3-[(phenylmethyl)carbamothioyla...)
Show SMILES Cc1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1
Show InChI InChI=1S/C16H18N4S2/c1-12-6-5-9-14(10-12)18-16(22)20-19-15(21)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,17,19,21)(H2,18,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42497
PNG
(MLS000521536 | N-[(3-nitrobenzylidene)amino]nonane...)
Show SMILES CCCCCCCCCS(=O)(=O)N[N-][CH+]c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H25N3O4S/c1-2-3-4-5-6-7-8-12-24(22,23)18-17-14-15-10-9-11-16(13-15)19(20)21/h9-11,13-14,18H,2-8,12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42531
PNG
(Furan-2-carboxylic acid {3-[(3,5-dibromo-2-hydroxy...)
Show SMILES Oc1c(Br)cc(Br)cc1C=Nc1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C18H12Br2N2O3/c19-12-7-11(17(23)15(20)8-12)10-21-13-3-1-4-14(9-13)22-18(24)16-5-2-6-25-16/h1-10,23H,(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42534
PNG
(1-[amino-[(4,6-dimethyl-2-quinazolinyl)amino]methy...)
Show SMILES Cc1ccc(NC(=S)NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(C)c1
Show InChI InChI=1S/C20H22N6S/c1-11-5-7-16(13(3)9-11)24-20(27)26-18(21)25-19-22-14(4)15-10-12(2)6-8-17(15)23-19/h5-10H,1-4H3,(H4,21,22,23,24,25,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42566
PNG
(2-[4-[(aminocarbonylhydrazinylidene)methyl]-2-meth...)
Show SMILES COc1cc(C=NNC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C19H22N4O4/c1-12-4-6-15(8-13(12)2)22-18(24)11-27-16-7-5-14(9-17(16)26-3)10-21-23-19(20)25/h4-10H,11H2,1-3H3,(H,22,24)(H3,20,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM42574
PNG
(3,5-dimethyl-4-[(4-methylphenyl)sulfonyl-phenyl-me...)
Show SMILES Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3S/c1-13-9-11-17(12-10-13)24(21,22)19(16-7-5-4-6-8-16)18-14(2)20-23-15(18)3/h4-12,19H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%