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PubChem AID 463251

Compile data set for download or QSAR
Found 87 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
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75938
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-4-6-15(7-5-14)23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-3)9-11-17/h4-13H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75901
PNG
(5-chloranyl-2-(3,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-8-13(2)10-14(9-12)22-19(23)18(17(20)11-21-22)25-16-6-4-15(24-3)5-7-16/h4-11H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75900
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-propan-2-ylp...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75946
PNG
(2-[3,5-bis(chloranyl)phenyl]-5-chloranyl-4-(4-meth...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(Cl)cc(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C17H11Cl3N2O3/c1-24-13-2-4-14(5-3-13)25-16-15(20)9-21-22(17(16)23)12-7-10(18)6-11(19)8-12/h2-9H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75918
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-methyl-4-pro...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-13(2)18-10-5-15(11-14(18)3)24-21(25)20(19(22)12-23-24)27-17-8-6-16(26-4)7-9-17/h5-13H,1-4H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75923
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-naphthalen-1-yl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C21H15ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h2-13H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75947
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-methoxypheny...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(OC)c3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O4/c1-23-13-6-8-14(9-7-13)25-17-16(19)11-20-21(18(17)22)12-4-3-5-15(10-12)24-2/h3-11H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75917
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(3-methylphenyl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-4-3-5-13(10-12)21-18(22)17(16(19)11-20-21)24-15-8-6-14(23-2)7-9-15/h3-11H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75896
PNG
(5-chloranyl-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)...)
Show SMILES CCc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C19H17ClN2O3/c1-3-13-4-6-14(7-5-13)22-19(23)18(17(20)12-21-22)25-16-10-8-15(24-2)9-11-16/h4-12H,3H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75899
PNG
(2-(4-butan-2-ylphenyl)-5-chloranyl-4-(4-methoxyphe...)
Show SMILES CCC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C21H21ClN2O3/c1-4-14(2)15-5-7-16(8-6-15)24-21(25)20(19(22)13-23-24)27-18-11-9-17(26-3)10-12-18/h5-14H,4H2,1-3H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75915
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(5,6,7,8-tetrah...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc4CCCCc4c3)c2=O)cc1
Show InChI InChI=1S/C21H19ClN2O3/c1-26-17-8-10-18(11-9-17)27-20-19(22)13-23-24(21(20)25)16-7-6-14-4-2-3-5-15(14)12-16/h6-13H,2-5H2,1H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75904
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(5,6,7,8-tetrah...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4CCCCc34)c2=O)cc1
Show InChI InChI=1S/C21H19ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-13H,2-3,5,7H2,1H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75898
PNG
(2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21ClN2O3/c1-21(2,3)14-5-7-15(8-6-14)24-20(25)19(18(22)13-23-24)27-17-11-9-16(26-4)10-12-17/h5-13H,1-4H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75886
PNG
(5-chloranyl-4-(4-ethylphenoxy)-2-(4-methylphenyl)p...)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75928
PNG
(5-chloranyl-2-(3-chlorophenyl)-4-(4-methoxyphenoxy...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75891
PNG
(5-bromanyl-4-(4-methoxyphenoxy)-2-(4-propan-2-ylph...)
Show SMILES COc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C20H19BrN2O3/c1-13(2)14-4-6-15(7-5-14)23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-3)9-11-17/h4-13H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75902
PNG
(5-bromanyl-4-(4-ethoxyphenoxy)-2-(4-propan-2-ylphe...)
Show SMILES CCOc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-4-26-17-9-11-18(12-10-17)27-20-19(22)13-23-24(21(20)25)16-7-5-15(6-8-16)14(2)3/h5-14H,4H2,1-3H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75942
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-[3-(trifluorome...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C18H12ClF3N2O3/c1-26-13-5-7-14(8-6-13)27-16-15(19)10-23-24(17(16)25)12-4-2-3-11(9-12)18(20,21)22/h2-10H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75884
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75878
PNG
(5-chloranyl-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)...)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-3-24-15-8-10-16(11-9-15)25-18-17(20)12-21-22(19(18)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75895
PNG
(5-chloranyl-2-(4-iodophenyl)-4-(4-methoxyphenoxy)p...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(I)cc3)c2=O)cc1
Show InChI InChI=1S/C17H12ClIN2O3/c1-23-13-6-8-14(9-7-13)24-16-15(18)10-20-21(17(16)22)12-4-2-11(19)3-5-12/h2-10H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75897
PNG
(5-chloranyl-2-(4-cyclopropylphenyl)-4-(4-methoxyph...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C3CC3)c2=O)cc1
Show InChI InChI=1S/C20H17ClN2O3/c1-25-16-8-10-17(11-9-16)26-19-18(21)12-22-23(20(19)24)15-6-4-14(5-7-15)13-2-3-13/h4-13H,2-3H2,1H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75944
PNG
(3-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazin...)
Show SMILES CCOC(=O)c1cccc(c1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C20H17ClN2O5/c1-3-27-20(25)13-5-4-6-14(11-13)23-19(24)18(17(21)12-22-23)28-16-9-7-15(26-2)8-10-16/h4-12H,3H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75943
PNG
(2-[3,5-bis(trifluoromethyl)phenyl]-5-chloranyl-4-(...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C19H11ClF6N2O3/c1-30-13-2-4-14(5-3-13)31-16-15(20)9-27-28(17(16)29)12-7-10(18(21,22)23)6-11(8-12)19(24,25)26/h2-9H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75921
PNG
(4-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazin...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C20H17ClN2O5/c1-3-27-20(25)13-4-6-14(7-5-13)23-19(24)18(17(21)12-22-23)28-16-10-8-15(26-2)9-11-16/h4-12H,3H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75920
PNG
(5-chloranyl-2-(2,3-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3C)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-5-4-6-17(13(12)2)22-19(23)18(16(20)11-21-22)25-15-9-7-14(24-3)8-10-15/h4-11H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75889
PNG
(5-chloranyl-4-(4-chloranylphenoxy)-2-(4-propan-2-y...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C19H16Cl2N2O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(21)11-22-23)25-16-9-5-14(20)6-10-16/h3-12H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75919
PNG
(5-chloranyl-2-(2,5-dimethylphenyl)-4-(4-methoxyphe...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cc(C)ccc3C)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-12-4-5-13(2)17(10-12)22-19(23)18(16(20)11-21-22)25-15-8-6-14(24-3)7-9-15/h4-11H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75948
PNG
(SR-02000000484 | SR-02000000484-1 | [1-(4-chlorobe...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN4O3/c24-19-6-4-18(5-7-19)17-27-12-2-1-3-22(27)23(29)26-15-13-25(14-16-26)20-8-10-21(11-9-20)28(30)31/h4-11,22H,1-3,12-17H2
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75926
PNG
(5-chloranyl-4-[3-(dimethylamino)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2cccc(c2)N(C)C)c1=O
Show InChI InChI=1S/C21H22ClN3O2/c1-14(2)15-8-10-16(11-9-15)25-21(26)20(19(22)13-23-25)27-18-7-5-6-17(12-18)24(3)4/h5-14H,1-4H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75936
PNG
(SR-02000000472 | SR-02000000472-1 | [4-[5-chlorany...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(COC(C)=O)cc2)c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-14(2)17-6-8-18(9-7-17)25-22(27)21(20(23)12-24-25)29-19-10-4-16(5-11-19)13-28-15(3)26/h4-12,14H,13H2,1-3H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75916
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-[(4-methylpheny...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-13-3-5-14(6-4-13)12-22-19(23)18(17(20)11-21-22)25-16-9-7-15(24-2)8-10-16/h3-11H,12H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75927
PNG
(N-[4-(5-chloro-3-keto-2-p-cumenyl-pyridazin-4-yl)o...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)c1=O
Show InChI InChI=1S/C21H20ClN3O3/c1-13(2)15-4-8-17(9-5-15)25-21(27)20(19(22)12-23-25)28-18-10-6-16(7-11-18)24-14(3)26/h4-13H,1-3H3,(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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM62088
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75883
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H12ClF3N2O2/c1-11-2-6-13(7-3-11)24-17(25)16(15(19)10-23-24)26-14-8-4-12(5-9-14)18(20,21)22/h2-10H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75922
PNG
(SR-02000000452 | SR-02000000452-1 | [1-(3,4-dichlo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O3/c24-20-9-4-17(15-21(20)25)16-28-10-2-1-3-22(28)23(30)27-13-11-26(12-14-27)18-5-7-19(8-6-18)29(31)32/h4-9,15,22H,1-3,10-14,16H2
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75880
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-meth...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C18H15ClN2O3/c1-12-2-6-14(7-3-12)21-18(23)17(16(19)10-20-21)24-15-8-4-13(11-22)5-9-15/h2-10,22H,11H2,1H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75911
PNG
(4-(4-methoxyphenoxy)-2-p-cumenyl-5-vinyl-pyridazin...)
Show SMILES COc1ccc(Oc2c(C=C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C22H22N2O3/c1-5-16-14-23-24(18-8-6-17(7-9-18)15(2)3)22(25)21(16)27-20-12-10-19(26-4)11-13-20/h5-15H,1H2,2-4H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75888
PNG
(4-(4-aminophenoxy)-5-chloro-2-(4-propan-2-ylphenyl...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(N)cc2)c1=O
Show InChI InChI=1S/C19H18ClN3O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(20)11-22-23)25-16-9-5-14(21)6-10-16/h3-12H,21H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75910
PNG
(5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylphenyl)...)
Show SMILES COC(=O)c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
Show InChI InChI=1S/C22H22N2O5/c1-14(2)15-5-7-16(8-6-15)24-21(25)20(19(13-23-24)22(26)28-4)29-18-11-9-17(27-3)10-12-18/h5-14H,1-4H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75945
PNG
(3-[4-chloranyl-5-(4-methoxyphenoxy)-6-oxidanyliden...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C#N)c2=O)cc1
Show InChI InChI=1S/C18H12ClN3O3/c1-24-14-5-7-15(8-6-14)25-17-16(19)11-21-22(18(17)23)13-4-2-3-12(9-13)10-20/h2-9,11H,1H3
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n/an/a 2.80E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75935
PNG
(SR-02000000471 | SR-02000000471-1 | [1-(3-chlorobe...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H27ClN4O3/c24-19-5-3-4-18(16-19)17-27-11-2-1-6-22(27)23(29)26-14-12-25(13-15-26)20-7-9-21(10-8-20)28(30)31/h3-5,7-10,16,22H,1-2,6,11-15,17H2
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n/an/a 2.80E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75893
PNG
(5-chloranyl-4-(4-oxidanylphenoxy)-2-phenyl-pyridaz...)
Show SMILES Oc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C16H11ClN2O3/c17-14-10-18-19(11-4-2-1-3-5-11)16(21)15(14)22-13-8-6-12(20)7-9-13/h1-10,20H
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n/an/a 2.80E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75873
PNG
(5-chloranyl-4-(3,4-dimethoxyphenoxy)-2-(4-methylph...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OC
Show InChI InChI=1S/C19H17ClN2O4/c1-12-4-6-13(7-5-12)22-19(23)18(15(20)11-21-22)26-14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
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n/an/a 2.90E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75934
PNG
(SR-02000000470 | SR-02000000470-1 | [1-(2-chloro-6...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1c(F)cccc1Cl
Show InChI InChI=1S/C23H26ClFN4O3/c24-20-4-3-5-21(25)19(20)16-28-11-2-1-6-22(28)23(30)27-14-12-26(13-15-27)17-7-9-18(10-8-17)29(31)32/h3-5,7-10,22H,1-2,6,11-16H2
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n/an/a 3.30E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75932
PNG
(SR-02000000468 | SR-02000000468-1 | [1-(2-naphthal...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O3/c32-27(29-17-15-28(16-18-29)24-10-12-25(13-11-24)31(33)34)26-7-3-4-14-30(26)20-21-8-9-22-5-1-2-6-23(22)19-21/h1-2,5-6,8-13,19,26H,3-4,7,14-18,20H2
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n/an/a 4.10E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75903
PNG
(4-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazin...)
Show SMILES COC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C19H15ClN2O5/c1-25-14-7-9-15(10-8-14)27-17-16(20)11-21-22(18(17)23)13-5-3-12(4-6-13)19(24)26-2/h3-11H,1-2H3
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n/an/a 4.10E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75909
PNG
(5-(4-methoxyphenoxy)-6-oxidanylidene-1-(4-propan-2...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)C#N)cc1
Show InChI InChI=1S/C21H19N3O3/c1-14(2)15-4-6-17(7-5-15)24-21(25)20(16(12-22)13-23-24)27-19-10-8-18(26-3)9-11-19/h4-11,13-14H,1-3H3
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n/an/a 4.20E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75933
PNG
(SR-02000000469 | SR-02000000469-1 | [1-(2,3-dichlo...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O3/c24-20-5-3-4-17(22(20)25)16-28-11-2-1-6-21(28)23(30)27-14-12-26(13-15-27)18-7-9-19(10-8-18)29(31)32/h3-5,7-10,21H,1-2,6,11-16H2
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n/an/a 4.40E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75950
PNG
(4,5-bis(chloranyl)-6-methoxy-2-(3-methylphenyl)pyr...)
Show SMILES COc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl2N2O2/c1-7-4-3-5-8(6-7)16-12(17)10(14)9(13)11(15-16)18-2/h3-6H,1-2H3
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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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75875
PNG
(5-chloranyl-4-[2-(3,4-diethoxyphenyl)ethoxy]-2-(4-...)
Show SMILES CCOc1ccc(CCOc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
Show InChI InChI=1S/C23H25ClN2O4/c1-4-28-20-11-8-17(14-21(20)29-5-2)12-13-30-22-19(24)15-25-26(23(22)27)18-9-6-16(3)7-10-18/h6-11,14-15H,4-5,12-13H2,1-3H3
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n/an/a 5.50E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75907
PNG
(4-(4-methoxyphenoxy)-5-methylol-2-p-cumenyl-pyrida...)
Show SMILES COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O4/c1-14(2)15-4-6-17(7-5-15)23-21(25)20(16(13-24)12-22-23)27-19-10-8-18(26-3)9-11-19/h4-12,14,24H,13H2,1-3H3
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n/an/a 5.60E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM62112
PNG
(1-(4-chloranyl-3-nitro-phenyl)sulfonylazepane | 1-...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C12H15ClN2O4S/c13-11-6-5-10(9-12(11)15(16)17)20(18,19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2
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n/an/a 5.80E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75890
PNG
(5-cyclopropyl-4-(4-methoxyphenoxy)-2-(4-methylphen...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)C2CC2)cc1
Show InChI InChI=1S/C21H20N2O3/c1-14-3-7-16(8-4-14)23-21(24)20(19(13-22-23)15-5-6-15)26-18-11-9-17(25-2)10-12-18/h3-4,7-13,15H,5-6H2,1-2H3
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n/an/a 6.20E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75912
PNG
(5-(4-methoxyphenoxy)-6-oxidanylidene-1-(4-propan-2...)
Show SMILES COc1ccc(Oc2c(C=O)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H20N2O4/c1-14(2)15-4-6-17(7-5-15)23-21(25)20(16(13-24)12-22-23)27-19-10-8-18(26-3)9-11-19/h4-14H,1-3H3
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n/an/a 6.20E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75879
PNG
(4-chloranyl-5-(4-ethoxyphenoxy)-2-(4-methylphenyl)...)
Show SMILES CCOc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-3-24-15-8-10-16(11-9-15)25-17-12-21-22(19(23)18(17)20)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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n/an/a 6.30E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75877
PNG
(5-bromanyl-4-(4-methoxyphenoxy)-2-phenyl-pyridazin...)
Show SMILES COc1ccc(Oc2c(Br)cnn(-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C17H13BrN2O3/c1-22-13-7-9-14(10-8-13)23-16-15(18)11-19-20(17(16)21)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a 7.00E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75874
PNG
(4-chloranyl-5-(4-methoxyphenoxy)-2-(4-methylphenyl...)
Show SMILES COc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(19)16(11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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n/an/a 7.00E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75906
PNG
(4-(4-methoxyphenoxy)-5-methyl-2-(4-propan-2-ylphen...)
Show SMILES COc1ccc(Oc2c(C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-14(2)16-5-7-17(8-6-16)23-21(24)20(15(3)13-22-23)26-19-11-9-18(25-4)10-12-19/h5-14H,1-4H3
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n/an/a 7.50E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75937
PNG
(5-chloranyl-4-(3,5-dimethoxyphenoxy)-2-(4-propan-2...)
Show SMILES COc1cc(OC)cc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)c1
Show InChI InChI=1S/C21H21ClN2O4/c1-13(2)14-5-7-15(8-6-14)24-21(25)20(19(22)12-23-24)28-18-10-16(26-3)9-17(11-18)27-4/h5-13H,1-4H3
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n/an/a 8.20E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75894
PNG
(5-chloranyl-2-(4-fluorophenyl)-4-(4-oxidanylphenox...)
Show SMILES Oc1ccc(Oc2c(Cl)cnn(-c3ccc(F)cc3)c2=O)cc1
Show InChI InChI=1S/C16H10ClFN2O3/c17-14-9-19-20(11-3-1-10(18)2-4-11)16(22)15(14)23-13-7-5-12(21)6-8-13/h1-9,21H
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n/an/a 8.70E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75930
PNG
(SR-02000000466 | SR-02000000466-1 | [1-(4-methylbe...)
Show SMILES Cc1ccc(CN2CCCCC2C(=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H30N4O3/c1-19-5-7-20(8-6-19)18-27-13-3-2-4-23(27)24(29)26-16-14-25(15-17-26)21-9-11-22(12-10-21)28(30)31/h5-12,23H,2-4,13-18H2,1H3
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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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75885
PNG
(5-chloranyl-4-(4-fluoranyl-2-methoxy-phenoxy)-2-(4...)
Show SMILES COc1cc(F)ccc1Oc1c(Cl)cnn(-c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C18H14ClFN2O3/c1-11-3-6-13(7-4-11)22-18(23)17(14(19)10-21-22)25-15-8-5-12(20)9-16(15)24-2/h3-10H,1-2H3
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n/an/a 9.70E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75949
PNG
(SR-02000000485 | SR-02000000485-1 | [1-(3-methylbe...)
Show SMILES Cc1cccc(CN2CCCCC2C(=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H30N4O3/c1-19-5-4-6-20(17-19)18-27-12-3-2-7-23(27)24(29)26-15-13-25(14-16-26)21-8-10-22(11-9-21)28(30)31/h4-6,8-11,17,23H,2-3,7,12-16,18H2,1H3
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n/an/a 1.00E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75882
PNG
(5-chloranyl-4-(4-fluoranyl-2-methyl-phenoxy)-2-(4-...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2C)c1=O
Show InChI InChI=1S/C18H14ClFN2O2/c1-11-3-6-14(7-4-11)22-18(23)17(15(19)10-21-22)24-16-8-5-13(20)9-12(16)2/h3-10H,1-2H3
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n/an/a 1.00E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75905
PNG
(5-ethyl-4-(4-methoxyphenoxy)-2-(4-propan-2-ylpheny...)
Show SMILES CCc1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
Show InChI InChI=1S/C22H24N2O3/c1-5-16-14-23-24(18-8-6-17(7-9-18)15(2)3)22(25)21(16)27-20-12-10-19(26-4)11-13-20/h6-15H,5H2,1-4H3
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n/an/a 1.07E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75931
PNG
(SR-02000000467 | SR-02000000467-1 | [1-(2-methylbe...)
Show SMILES Cc1ccccc1CN1CCCCC1C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H30N4O3/c1-19-6-2-3-7-20(19)18-27-13-5-4-8-23(27)24(29)26-16-14-25(15-17-26)21-9-11-22(12-10-21)28(30)31/h2-3,6-7,9-12,23H,4-5,8,13-18H2,1H3
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n/an/a 1.10E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75881
PNG
(4-[2,4-bis(fluoranyl)phenoxy]-5-chloranyl-2-(4-met...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C17H11ClF2N2O2/c1-10-2-5-12(6-3-10)22-17(23)16(13(18)9-21-22)24-15-7-4-11(19)8-14(15)20/h2-9H,1H3
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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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75925
PNG
(5-chloranyl-2-(4-propan-2-ylphenyl)-4-[4-(trifluor...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C20H16ClF3N2O3/c1-12(2)13-3-5-14(6-4-13)26-19(27)18(17(21)11-25-26)28-15-7-9-16(10-8-15)29-20(22,23)24/h3-12H,1-2H3
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n/an/a 1.22E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75940
PNG
(5-(2-furanyl)-4-(4-methoxyphenoxy)-2-(4-methylphen...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2ccco2)cc1
Show InChI InChI=1S/C22H18N2O4/c1-15-5-7-16(8-6-15)24-22(25)21(19(14-23-24)20-4-3-13-27-20)28-18-11-9-17(26-2)10-12-18/h3-14H,1-2H3
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n/an/a 1.43E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75876
PNG
(4-[5-chloro-3-keto-2-(p-tolyl)pyridazin-4-yl]oxypi...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C21H26ClN3O4/c1-14-5-7-15(8-6-14)25-19(26)18(17(22)13-23-25)28-16-9-11-24(12-10-16)20(27)29-21(2,3)4/h5-8,13,16H,9-12H2,1-4H3
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n/an/a 1.60E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75924
PNG
(4-[3,4-bis(chloranyl)phenoxy]-5-chloranyl-2-(4-pro...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(Cl)c(Cl)c2)c1=O
Show InChI InChI=1S/C19H15Cl3N2O2/c1-11(2)12-3-5-13(6-4-12)24-19(25)18(17(22)10-23-24)26-14-7-8-15(20)16(21)9-14/h3-11H,1-2H3
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n/an/a 1.60E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75908
PNG
((4E)-5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylph...)
Show SMILES COc1ccc(Oc2c(CN=O)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show InChI InChI=1S/C21H21N3O4/c1-14(2)15-4-6-17(7-5-15)24-21(25)20(16(12-22-24)13-23-26)28-19-10-8-18(27-3)9-11-19/h4-12,14H,13H2,1-3H3
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n/an/a 1.61E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75914
PNG
(4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)py...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H20ClN3O/c1-14(2)16-8-10-17(11-9-16)24-20(25)19(18(21)13-23-24)22-12-15-6-4-3-5-7-15/h3-11,13-14,22H,12H2,1-2H3
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n/an/a 1.62E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75872
PNG
(5-chloranyl-2-(4-methylphenyl)-4-phenoxy-pyridazin...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccccc2)c1=O
Show InChI InChI=1S/C17H13ClN2O2/c1-12-7-9-13(10-8-12)20-17(21)16(15(18)11-19-20)22-14-5-3-2-4-6-14/h2-11H,1H3
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n/an/a 1.82E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75941
PNG
(4-(4-methoxyphenoxy)-2-(4-methylphenyl)-5-thiophen...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2cccs2)cc1
Show InChI InChI=1S/C22H18N2O3S/c1-15-5-7-16(8-6-15)24-22(25)21(19(14-23-24)20-4-3-13-28-20)27-18-11-9-17(26-2)10-12-18/h3-14H,1-2H3
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n/an/a 1.98E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM62060
PNG
(2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfony...)
Show SMILES COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |(9.3,-5.16,;8.15,-4.13,;8.48,-2.63,;9.94,-2.15,;10.26,-.64,;9.12,.39,;7.65,-.09,;7.33,-1.6,;5.87,-2.07,;5.39,-3.54,;6.3,-4.78,;5.67,-6.19,;6.57,-7.43,;5.95,-8.84,;8.11,-7.27,;3.85,-3.54,;3.37,-2.07,;4.62,-1.17,;4.62,.37,;3.29,1.14,;3.29,2.68,;4.62,3.45,;5.95,2.68,;5.95,1.14,;4.62,4.99,;3.08,4.99,;6.16,4.99,;4.62,6.53,;3.29,7.3,;3.29,8.84,;4.62,9.61,;5.95,8.84,;5.95,7.3,)|
Show InChI InChI=1S/C22H25N5O4S2/c1-31-19-8-4-3-7-18(19)27-21(24-25-22(27)32-15-20(23)28)16-9-11-17(12-10-16)33(29,30)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,23,28)
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM62074
PNG
(1,1'-[(4,6-dimethoxy-1,3-phenylene)disulfonyl]...)
Show SMILES COc1cc(OC)c(cc1S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H28N2O6S2/c1-25-15-13-16(26-2)18(28(23,24)20-11-7-4-8-12-20)14-17(15)27(21,22)19-9-5-3-6-10-19/h13-14H,3-12H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM62143
PNG
(5-(2-chloro-6-fluoro-benzyl)-6-keto-N-(3-morpholin...)
Show SMILES Fc1cccc(Cl)c1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C28H27ClFN3O3S/c29-22-6-3-7-23(30)21(22)18-33-24-17-19(27(34)31-11-4-12-32-13-15-36-16-14-32)9-10-26(24)37-25-8-2-1-5-20(25)28(33)35/h1-3,5-10,17H,4,11-16,18H2,(H,31,34)
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75939
PNG
(4-(4-methoxyphenoxy)-2-(4-methylphenyl)-5-phenyl-3...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N2O3/c1-17-8-10-19(11-9-17)26-24(27)23(29-21-14-12-20(28-2)13-15-21)22(16-25-26)18-6-4-3-5-7-18/h3-16H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75951
PNG
(3,4-bis(chloranyl)-1-(4-methylphenyl)pyridin-2-one...)
Show SMILES Cc1ccc(cc1)-n1ccc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H9Cl2NO/c1-8-2-4-9(5-3-8)15-7-6-10(13)11(14)12(15)16/h2-7H,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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75892
PNG
(4-(4-methoxyphenoxy)-2-p-cumenyl-5-piperidino-pyri...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75952
PNG
(5-chloranyl-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-m...)
Show SMILES CCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
Show InChI InChI=1S/C22H23ClN2O4/c1-4-27-19-11-8-16(12-20(19)28-5-2)14-29-21-18(23)13-24-25(22(21)26)17-9-6-15(3)7-10-17/h6-13H,4-5,14H2,1-3H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75913
PNG
((E)-3-[5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-yl...)
Show SMILES COC(=O)\C=C\c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
Show InChI InChI=1S/C24H24N2O5/c1-16(2)17-5-8-19(9-6-17)26-24(28)23(18(15-25-26)7-14-22(27)30-4)31-21-12-10-20(29-3)11-13-21/h5-16H,1-4H3/b14-7+
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75953
PNG
(5-chloranyl-4-[2-(3,4-diethoxyphenyl)ethoxy]-2-phe...)
Show SMILES CCOc1ccc(CCOc2c(Cl)cnn(-c3ccccc3)c2=O)cc1OCC
Show InChI InChI=1S/C22H23ClN2O4/c1-3-27-19-11-10-16(14-20(19)28-4-2)12-13-29-21-18(23)15-24-25(22(21)26)17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75954
PNG
(4-(4-methoxyphenoxy)-5-methyl-2-phenyl-3-pyridazin...)
Show SMILES COc1ccc(Oc2c(C)cnn(-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C18H16N2O3/c1-13-12-19-20(14-6-4-3-5-7-14)18(21)17(13)23-16-10-8-15(22-2)9-11-16/h3-12H,1-2H3
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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) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%