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PubChem AID 2251

Compile data set for download or QSAR
Found 126 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 1


(Homo sapiens)
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 2.88E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
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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n/an/a 2.94E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM46805
PNG
(4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-8,9-di...)
Show SMILES BrC1C(Br)C2CC1C1C2C(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C22H25Br2N3O3/c23-19-14-10-15(20(19)24)18-17(14)21(29)27(22(18)30)12-16(28)26-8-6-25(7-9-26)11-13-4-2-1-3-5-13/h1-5,14-15,17-20H,6-12H2
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n/an/a 4.18E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM37797
PNG
(5-(3,4-dichlorophenyl)-7-(2-thienyl)-1,5,6,7-tetra...)
Show SMILES Clc1ccc(cc1Cl)C1CC(c2cccs2)n2ncnc2N1
Show InChI InChI=1S/C15H12Cl2N4S/c16-10-4-3-9(6-11(10)17)12-7-13(14-2-1-5-22-14)21-15(20-12)18-8-19-21/h1-6,8,12-13H,7H2,(H,18,19,20)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62151
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)COc1ccc(Cl)c(C)c1)N1CCCCC1
Show InChI InChI=1S/C23H29ClN2O3/c1-17-14-20(10-11-21(17)24)29-16-23(27)25-15-22(26-12-4-3-5-13-26)18-6-8-19(28-2)9-7-18/h6-11,14,22H,3-5,12-13,15-16H2,1-2H3,(H,25,27)
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n/an/a 4.87E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62077
PNG
(2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulf...)
Show SMILES Cc1ccc(c(C)c1)-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C23H27N5O3S2/c1-16-6-11-20(17(2)14-16)28-22(25-26-23(28)32-15-21(24)29)18-7-9-19(10-8-18)33(30,31)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,24,29)
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n/an/a 5.30E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
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
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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n/an/a 5.37E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM40909
PNG
(5-(2-chlorophenyl)-7-(4-ethylphenyl)-1,5,6,7-tetra...)
Show SMILES CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN5/c1-2-12-7-9-13(10-8-12)17-11-16(14-5-3-4-6-15(14)20)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
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n/an/a 5.58E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62135
PNG
(4-[[(E)-2-cyano-3-[4-(3-fluorobenzoyl)oxy-3-methox...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)C(O)=O)ccc1OC(=O)c1cccc(F)c1
Show InChI InChI=1S/C25H17FN2O6/c1-33-22-12-15(5-10-21(22)34-25(32)17-3-2-4-19(26)13-17)11-18(14-27)23(29)28-20-8-6-16(7-9-20)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-11+
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
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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n/an/a 6.45E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62131
PNG
(MLS000974462 | N-[(2,3-dimethylanilino)-sulfanylid...)
Show SMILES Cc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1C
Show InChI InChI=1S/C17H18N2OS/c1-12-7-6-10-15(13(12)2)18-17(21)19-16(20)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
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n/an/a 6.65E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62148
PNG
(5-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylprop...)
Show SMILES Cc1ccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C29H31N3O3S/c1-21-7-9-22(10-8-21)20-32-25-19-23(28(33)30-13-4-14-31-15-17-35-18-16-31)11-12-27(25)36-26-6-3-2-5-24(26)29(32)34/h2-3,5-12,19H,4,13-18,20H2,1H3,(H,30,33)
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n/an/a 6.89E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
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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n/an/a 7.02E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62116
PNG
(MLS000712760 | N-[11-[3-(4-methyl-1-piperazinyl)-1...)
Show SMILES CCCC(CCC)C(=O)Nc1ccc2CCc3ccccc3N(C(=O)CCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C30H42N4O2/c1-4-8-25(9-5-2)30(36)31-26-15-14-24-13-12-23-10-6-7-11-27(23)34(28(24)22-26)29(35)16-17-33-20-18-32(3)19-21-33/h6-7,10-11,14-15,22,25H,4-5,8-9,12-13,16-21H2,1-3H3,(H,31,36)
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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 (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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62130
PNG
(2-[({2-[(4-chlorobenzyl)oxy]-1-naphthyl}methyl)ami...)
Show SMILES CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
Show InChI InChI=1S/C22H24ClNO2/c1-22(2,15-25)24-13-20-19-6-4-3-5-17(19)9-12-21(20)26-14-16-7-10-18(23)11-8-16/h3-12,24-25H,13-15H2,1-2H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62166
PNG
((5S)-1-[(4-tert-butylcyclohexyl)methyl]-N,N-dimeth...)
Show SMILES CN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCC(CC1)C(C)(C)C
Show InChI InChI=1S/C23H37N3/c1-23(2,3)20-13-11-19(12-14-20)17-26-21(16-24-22(26)25(4)5)15-18-9-7-6-8-10-18/h6-10,19-21H,11-17H2,1-5H3/t19?,20?,21-/m0/s1
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62147
PNG
(5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylprop...)
Show SMILES Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C29H31N3O3S/c1-21-7-2-3-8-23(21)20-32-25-19-22(28(33)30-13-6-14-31-15-17-35-18-16-31)11-12-27(25)36-26-10-5-4-9-24(26)29(32)34/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,30,33)
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n/an/a 8.23E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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n/an/a 9.20E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62103
PNG
(4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)-1-phenyl-...)
Show SMILES Cc1cc(CC(Nc2ccc(C)cc2)c2ccccc2)on1
Show InChI InChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)20-19(16-6-4-3-5-7-16)13-18-12-15(2)21-22-18/h3-12,19-20H,13H2,1-2H3
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n/an/a 9.47E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62138
PNG
(MLS001199098 | N-[2-(diethylamino)ethyl]-3-[3,4,6-...)
Show SMILES CCN(CC)CCNC(=O)CCc1c(C)nc2n(nc(C)c2c1C)-c1ccc(C)cc1
Show InChI InChI=1S/C25H35N5O/c1-7-29(8-2)16-15-26-23(31)14-13-22-18(4)24-20(6)28-30(25(24)27-19(22)5)21-11-9-17(3)10-12-21/h9-12H,7-8,13-16H2,1-6H3,(H,26,31)
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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 (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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62167
PNG
((5S)-1-(3-methylpentyl)-N-phenyl-5-(phenylmethyl)-...)
Show SMILES CCC(C)CCN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1
Show InChI InChI=1S/C22H29N3/c1-3-18(2)14-15-25-21(16-19-10-6-4-7-11-19)17-23-22(25)24-20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,23,24)/t18?,21-/m0/s1
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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 (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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62111
PNG
((3aS,5S,9aS)-5-[3-(4-fluorophenyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1c[nH]nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O/c1-17-5-2-3-6-19(17)15-30-16-20-13-23(31-12-4-11-26(20,31)25(30)32)22-14-28-29-24(22)18-7-9-21(27)10-8-18/h2-3,5-10,14,20,23H,4,11-13,15-16H2,1H3,(H,28,29)/t20-,23-,26-/m0/s1
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n/an/a 1.06E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62142
PNG
((4S)-1-benzyl-2-(2-methoxyethylamino)-6-methyl-4-[...)
Show SMILES COCCNC1=N[C@H](C(C(=O)OC)=C(C)N1Cc1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3O3/c1-16-20(22(31)33-3)21(18-10-7-11-19(14-18)24(25,26)27)29-23(28-12-13-32-2)30(16)15-17-8-5-4-6-9-17/h4-11,14,21H,12-13,15H2,1-3H3,(H,28,29)/t21-/m0/s1
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n/an/a 1.06E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62105
PNG
(2-(2-isopropyl-5-methyl-phenoxy)ethyl-dipropyl-ami...)
Show SMILES CCCN(CCC)CCOc1cc(C)ccc1C(C)C
Show InChI InChI=1S/C18H31NO/c1-6-10-19(11-7-2)12-13-20-18-14-16(5)8-9-17(18)15(3)4/h8-9,14-15H,6-7,10-13H2,1-5H3
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n/an/a 1.09E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62083
PNG
(5,7-diphenyl-6-(p-tolyl)-1,2,3,6-tetrahydropyrrolo...)
Show SMILES Cc1ccc(cc1)C1C2C(=NCCN=C2c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C26H23N3O/c1-18-12-14-20(15-13-18)25-22-23(19-8-4-2-5-9-19)27-16-17-28-24(22)26(30)29(25)21-10-6-3-7-11-21/h2-15,22,25H,16-17H2,1H3
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n/an/a 1.25E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62127
PNG
(2-[4-(2-chlorobenzyl)-2,2-dimethyl-tetrahydropyran...)
Show SMILES CC(NCCC1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1
Show InChI InChI=1S/C22H30ClNOS/c1-17(20-9-6-14-26-20)24-12-10-22(11-13-25-21(2,3)16-22)15-18-7-4-5-8-19(18)23/h4-9,14,17,24H,10-13,15-16H2,1-3H3
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n/an/a 1.27E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62145
PNG
(MLS000947934 | SMR000620175 | cid_3643960)
Show SMILES CN(C1CCCCC1)C(=O)CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O
Show InChI InChI=1S/C18H24Br2N2O3/c1-21(9-5-3-2-4-6-9)12(23)8-22-17(24)13-10-7-11(14(13)18(22)25)16(20)15(10)19/h9-11,13-16H,2-8H2,1H3
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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 (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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62137
PNG
(2-(4-chlorophenyl)-N-[(4-guanidinosulfonylphenyl)t...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClN5O3S2/c17-11-3-1-10(2-4-11)9-14(23)21-16(26)20-12-5-7-13(8-6-12)27(24,25)22-15(18)19/h1-8H,9H2,(H4,18,19,22)(H2,20,21,23,26)
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n/an/a 1.39E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62168
PNG
(4-[4-[3-(dimethylamino)propyl-(6-ethyl-1,3-benzoth...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(CC)cc2s1
Show InChI InChI=1S/C28H37N5O5S2/c1-5-21-8-13-24-25(20-21)39-27(29-24)33(15-7-14-30(3)4)26(34)22-9-11-23(12-10-22)40(36,37)32-18-16-31(17-19-32)28(35)38-6-2/h8-13,20H,5-7,14-19H2,1-4H3
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n/an/a 1.42E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62124
PNG
((4Z)-4-[[[4-(4-fluorophenyl)-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H14FN3O2S/c1-19-17-21(20-9-11-2-7-15(22)16(23)8-11)14(10-24-17)12-3-5-13(18)6-4-12/h2-10,22-23H,1H3
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM50154215
PNG
(Bis-(4-chloro-benzyl)-(1H-tetrazol-5-yl)-amine | C...)
Show SMILES Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62098
PNG
(2-[4-[(3,4-dichlorobenzoyl)-methyl-amino]phenyl]-3...)
Show SMILES COC(=O)C(O)(c1ccc(cc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C18H14Cl2F3NO4/c1-24(15(25)10-3-8-13(19)14(20)9-10)12-6-4-11(5-7-12)17(27,16(26)28-2)18(21,22)23/h3-9,27H,1-2H3
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM42453
PNG
(2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-[1-...)
Show SMILES CC(NC(=O)Cn1c(NCCO)nc2ccccc12)C1CC2CCC1C2
Show InChI InChI=1S/C20H28N4O2/c1-13(16-11-14-6-7-15(16)10-14)22-19(26)12-24-18-5-3-2-4-17(18)23-20(24)21-8-9-25/h2-5,13-16,25H,6-12H2,1H3,(H,21,23)(H,22,26)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62062
PNG
(3-[benzyl(2-hydroxyethyl)amino]-N-(4-bromophenyl)p...)
Show SMILES OCCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C18H21BrN2O2/c19-16-6-8-17(9-7-16)20-18(23)10-11-21(12-13-22)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,23)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62121
PNG
(MLS001007361 | N-(2-ethoxyphenyl)-2-phenyl-2-[(1-p...)
Show SMILES CCOc1ccccc1NC(=O)C(NCC1(CCCCC1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H39N3O2/c1-2-33-25-17-9-8-16-24(25)30-27(32)26(23-14-6-3-7-15-23)29-22-28(18-10-4-11-19-28)31-20-12-5-13-21-31/h3,6-9,14-17,26,29H,2,4-5,10-13,18-22H2,1H3,(H,30,32)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62139
PNG
(4-[methyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benza...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H22N2O3S/c1-24(20-10-6-3-7-11-20)28(26,27)21-14-12-19(13-15-21)22(25)23-17-16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,23,25)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62065
PNG
(MLS000055865 | N-(2-methoxyphenyl)-2-[5-[[1-(3-met...)
Show SMILES COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1
Show InChI InChI=1S/C20H19N7O3S/c1-13-6-5-7-14(10-13)27-20(23-25-26-27)31-12-19-22-17(24-30-19)11-18(28)21-15-8-3-4-9-16(15)29-2/h3-10H,11-12H2,1-2H3,(H,21,28)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62104
PNG
(MLS000676981 | N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4...)
Show SMILES [O-][N+](=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1
Show InChI InChI=1S/C16H20N2O4/c19-16(17-11-10-13-4-2-1-3-5-13)12-22-15-8-6-14(7-9-15)18(20)21/h4,6-9H,1-3,5,10-12H2,(H,17,19)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62128
PNG
(5-(4-chlorophenyl)-N-(3-pyridinylmethyl)-2-(triflu...)
Show SMILES FC(F)(F)c1oc(cc1C(=O)NCc1cccnc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-13-5-3-12(4-6-13)15-8-14(16(26-15)18(20,21)22)17(25)24-10-11-2-1-7-23-9-11/h1-9H,10H2,(H,24,25)
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n/an/a 1.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62106
PNG
(MLS000563818 | SMR000388773 | cid_3247171)
Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2[C@H](CN1C(=O)c1ccccc1)Cc1c2cc(C(=O)N(C)C)n1Cc1ccccc1
Show InChI InChI=1S/C35H34FN3O4/c1-37(2)33(41)30-19-28-29(38(30)21-24-10-6-4-7-11-24)18-26-22-39(32(40)25-12-8-5-9-13-25)35(31(26)28,34(42)43-3)20-23-14-16-27(36)17-15-23/h4-17,19,26,31H,18,20-22H2,1-3H3/t26-,31+,35+/m0/s1
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n/an/a 1.63E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62086
PNG
(3-[4-(4-Chloro-phenyl)-5-((E)-3-phenyl-allylsulfan...)
Show SMILES Clc1ccc(cc1)-n1c(SC\C=C\c2ccccc2)nnc1-c1cccnc1
Show InChI InChI=1S/C22H17ClN4S/c23-19-10-12-20(13-11-19)27-21(18-9-4-14-24-16-18)25-26-22(27)28-15-5-8-17-6-2-1-3-7-17/h1-14,16H,15H2/b8-5+
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n/an/a 1.69E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62089
PNG
(2-(4-fluoranylphenoxy)-N-[[(4-fluorophenyl)methoxy...)
Show SMILES COc1ccnc(Oc2ccc(F)cc2)c1C(=O)NC=NOCc1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N3O4/c1-28-18-10-11-24-21(30-17-8-6-16(23)7-9-17)19(18)20(27)25-13-26-29-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,25,26,27)
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n/an/a 1.90E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM40800
PNG
(MLS000068710 | N-Cyclohexyl-4-[4-(furan-2-carbonyl...)
Show SMILES O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
Show InChI InChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
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n/an/a 1.93E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62122
PNG
(3-(trifluoromethyl)-5-[3-(trifluoromethyl)benzyl]-...)
Show SMILES FC(F)(F)c1cccc(Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F6N2/c22-20(23,24)15-6-4-5-14(11-15)13-29-18-12-16(21(25,26)27)8-9-17(18)28-10-3-1-2-7-19(28)29/h4-6,8-9,11-12H,1-3,7,10,13H2/q+1
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n/an/a 1.97E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62115
PNG
(MLS000709567 | N-(1,3-benzothiazol-2-yl)-2-methoxy...)
Show SMILES COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1
Show InChI InChI=1S/C22H25N3O2S/c1-24-14-7-8-16(24)13-15-25(21(26)17-9-3-5-11-19(17)27-2)22-23-18-10-4-6-12-20(18)28-22/h3-6,9-12,16H,7-8,13-15H2,1-2H3
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n/an/a 2.14E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62081
PNG
(2-(4-chlorophenyl)-N-[2-(4-methyl-1-piperazinyl)ph...)
Show SMILES CN1CCN(CC1)c1ccccc1NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)18-5-3-2-4-17(18)21-19(24)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3,(H,21,24)
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n/an/a 2.15E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62109
PNG
(MLS000733675 | SMR000317538 | [1-(2,4-dimethyl-6-p...)
Show SMILES COc1cccc(CC2(CO)CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)c1
Show InChI InChI=1S/C26H33N3O2/c1-20-13-21(2)24(25(14-20)29-12-6-10-27-29)17-28-11-5-9-26(18-28,19-30)16-22-7-4-8-23(15-22)31-3/h4,6-8,10,12-15,30H,5,9,11,16-19H2,1-3H3
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n/an/a 2.20E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62072
PNG
(5-(4-chlorophenyl)-7-(2-methoxyphenyl)-1,5,6,7-tet...)
Show SMILES COc1ccccc1C1CC(Nc2ncnn12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O/c1-24-17-5-3-2-4-14(17)16-10-15(12-6-8-13(19)9-7-12)22-18-20-11-21-23(16)18/h2-9,11,15-16H,10H2,1H3,(H,20,21,22)
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n/an/a 2.24E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62079
PNG
((4-Chloro-phenyl)-[4-ethyl-5-(2-piperidin-1-yl-eth...)
Show SMILES CCn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1
Show InChI InChI=1S/C18H26ClN5S/c1-2-24-17(14-20-16-8-6-15(19)7-9-16)21-22-18(24)25-13-12-23-10-4-3-5-11-23/h6-9,20H,2-5,10-14H2,1H3
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n/an/a 2.25E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62107
PNG
((5-chloranyl-2-fluoranyl-phenyl)-[3-(hydroxymethyl...)
Show SMILES Cc1ccccc1CC1(CO)CCCN(C1)C(=O)c1cc(Cl)ccc1F
Show InChI InChI=1S/C21H23ClFNO2/c1-15-5-2-3-6-16(15)12-21(14-25)9-4-10-24(13-21)20(26)18-11-17(22)7-8-19(18)23/h2-3,5-8,11,25H,4,9-10,12-14H2,1H3
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n/an/a 2.29E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM61138
PNG
(MLS001116239 | SMR000625808 | [4-(5-chloranyl-2-me...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc2N(CCc2c1)S(C)(=O)=O
Show InChI InChI=1S/C21H24ClN3O3S/c1-15-3-5-18(22)14-20(15)23-9-11-24(12-10-23)21(26)17-4-6-19-16(13-17)7-8-25(19)29(2,27)28/h3-6,13-14H,7-12H2,1-2H3
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n/an/a 2.35E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62144
PNG
((4-ethyl-1-piperazinyl)-[4-[(4-methylphenyl)methyl...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1
Show InChI InChI=1S/C23H29N3OS/c1-3-24-10-12-25(13-11-24)23(27)20-8-9-22-21(16-20)26(14-15-28-22)17-19-6-4-18(2)5-7-19/h4-9,16H,3,10-15,17H2,1-2H3
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n/an/a 2.39E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62076
PNG
(2-[2-[1-hydroxybut-3-yn-2-yl-(phenylmethyl)amino]e...)
Show SMILES OCC(C#C)N(CCN(Cc1ccccc1)C(CO)C#C)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-3-23(19-27)25(17-21-11-7-5-8-12-21)15-16-26(24(4-2)20-28)18-22-13-9-6-10-14-22/h1-2,5-14,23-24,27-28H,15-20H2
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n/an/a 2.39E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62090
PNG
((3-methyl-4-nitro-phenyl)-[4-(phenylmethyl)piperid...)
Show SMILES Cc1cc(ccc1[N+]([O-])=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O3/c1-15-13-18(7-8-19(15)22(24)25)20(23)21-11-9-17(10-12-21)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3
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n/an/a 2.56E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62132
PNG
(MLS001001851 | N-(2-ethoxy-5-nitrobenzyl)cycloocta...)
Show SMILES CCOc1ccc(cc1CNC1CCCCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C17H26N2O3/c1-2-22-17-11-10-16(19(20)21)12-14(17)13-18-15-8-6-4-3-5-7-9-15/h10-12,15,18H,2-9,13H2,1H3
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n/an/a 2.73E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62094
PNG
(Benzoic acid 4-{[2-(2,6-dimethyl-4-nitro-phenoxy)-...)
Show SMILES Cc1cc(cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O6/c1-16-12-20(27(30)31)13-17(2)23(16)32-15-22(28)26-25-14-18-8-10-21(11-9-18)33-24(29)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,28)
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n/an/a 2.80E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62058
PNG
(8-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-3-(4-fluor...)
Show SMILES OC1(CC2CCC(C1)N2Cc1nnnn1C1CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H28FN5O/c22-16-8-6-15(7-9-16)21(28)12-18-10-11-19(13-21)26(18)14-20-23-24-25-27(20)17-4-2-1-3-5-17/h6-9,17-19,28H,1-5,10-14H2
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n/an/a 2.83E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62140
PNG
((2R)-2-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3...)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C22H21BrN2O4/c1-29-22(28)19(12-15-13-24-18-5-3-2-4-17(15)18)25-21(27)11-10-20(26)14-6-8-16(23)9-7-14/h2-9,13,19,24H,10-12H2,1H3,(H,25,27)/t19-/m1/s1
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n/an/a 2.88E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM51736
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) benzoate |...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C17H12O4/c1-11-9-16(18)21-15-10-13(7-8-14(11)15)20-17(19)12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 2.94E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM42429
PNG
(1-(4-methylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-...)
Show SMILES Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
Show InChI InChI=1S/C23H25N2O/c1-18-11-13-20(14-12-18)22(26)17-24-16-21(19-8-4-2-5-9-19)25-15-7-3-6-10-23(24)25/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17H2,1H3/q+1
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n/an/a 3.12E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62118
PNG
((2Z)-2-[4-(2-fluorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES COCCCNC(=O)\C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O
Show InChI InChI=1S/C21H21FN2O3S/c1-27-12-6-11-23-20(25)13-19-21(26)24(14-15-7-2-3-8-16(15)22)17-9-4-5-10-18(17)28-19/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,25)/b19-13-
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n/an/a 3.23E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62120
PNG
(1-(5-nitro-2-pyridinyl)-4-(phenylmethyl)piperazine...)
Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C16H18N4O2/c21-20(22)15-6-7-16(17-12-15)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a 3.34E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62085
PNG
(2-(6-nitro-2-phenyl-benzimidazol-1-yl)oxypropionic...)
Show SMILES CCOC(=O)C(C)On1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C18H17N3O5/c1-3-25-18(22)12(2)26-20-16-11-14(21(23)24)9-10-15(16)19-17(20)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
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n/an/a 3.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62162
PNG
(MLS001073551 | SMR000654397 | [3-(2,4-difluorobenz...)
Show SMILES CC(C)Cc1cc([nH]n1)C(=O)N1CCCC(CO)(Cc2ccc(F)cc2F)C1
Show InChI InChI=1S/C21H27F2N3O2/c1-14(2)8-17-10-19(25-24-17)20(28)26-7-3-6-21(12-26,13-27)11-15-4-5-16(22)9-18(15)23/h4-5,9-10,14,27H,3,6-8,11-13H2,1-2H3,(H,24,25)
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n/an/a 3.46E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62087
PNG
(2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5...)
Show SMILES COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H29N3O5/c1-19-13-14-23(30-24(31)16-29-27(33)35-18-20-9-5-3-6-10-20)22(15-19)26(28-17-25(32)34-2)21-11-7-4-8-12-21/h3-15,26,28H,16-18H2,1-2H3,(H,29,33)(H,30,31)
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n/an/a 3.53E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62159
PNG
(MLS001034823 | SMR000670877 | [3-(1-azepanylsulfon...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H25ClN2O3S/c19-16-9-8-15(18(22)20-10-4-3-5-11-20)14-17(16)25(23,24)21-12-6-1-2-7-13-21/h8-9,14H,1-7,10-13H2
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n/an/a 3.62E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62096
PNG
(1-(4-chlorophenyl)-3-[[1,3-diketo-2-(p-tolyl)-7,7a...)
Show SMILES Cc1ccc(cc1)-n1c(O)c2C3OC(CNC(=S)Nc4ccc(Cl)cc4)(C=C3)c2c1O
Show InChI InChI=1S/C23H20ClN3O3S/c1-13-2-8-16(9-3-13)27-20(28)18-17-10-11-23(30-17,19(18)21(27)29)12-25-22(31)26-15-6-4-14(24)5-7-15/h2-11,17,28-29H,12H2,1H3,(H2,25,26,31)
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n/an/a 4.28E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62069
PNG
(MLS000095002 | N-[1-(cyclopentylamino)-2-methyl-1-...)
Show SMILES CCC(C)(N(Cc1ccco1)C(=O)c1ccc2OCOc2c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H28N2O5/c1-3-23(2,22(27)24-17-7-4-5-8-17)25(14-18-9-6-12-28-18)21(26)16-10-11-19-20(13-16)30-15-29-19/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,27)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62073
PNG
(4-({[4-(2-furylmethyl)-5-(2-thienylmethyl)-4H-1,2,...)
Show SMILES N#Cc1ccc(CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H16N4OS2/c21-12-15-5-7-16(8-6-15)14-27-20-23-22-19(11-18-4-2-10-26-18)24(20)13-17-3-1-9-25-17/h1-10H,11,13-14H2
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM42417
PNG
(MLS000527488 | N-(1,3-benzodioxol-5-ylmethyl)-N-[2...)
Show SMILES O=C(NC1CCCCC1)C(N(Cc1ccc2OCOc2c1)C(=O)c1cnsn1)c1ccncc1
Show InChI InChI=1S/C24H25N5O4S/c30-23(27-18-4-2-1-3-5-18)22(17-8-10-25-11-9-17)29(24(31)19-13-26-34-28-19)14-16-6-7-20-21(12-16)33-15-32-20/h6-13,18,22H,1-5,14-15H2,(H,27,30)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62093
PNG
(2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydr...)
Show SMILES CCOC(=O)COc1c(Cl)cc(cc1OC)C1NC(=S)N=C(C1C(C)=O)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O5S/c1-4-30-18(28)12-31-22-16(24)10-15(11-17(22)29-3)21-19(13(2)27)20(25-23(32)26-21)14-8-6-5-7-9-14/h5-11,19,21H,4,12H2,1-3H3,(H,26,32)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62095
PNG
(MLS000586336 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
Show InChI InChI=1S/C22H28N4O2S/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62101
PNG
(2-[2-(butylamino)-1-benzimidazolyl]-N-(2-ethyl-6-m...)
Show SMILES CCCCNc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC
Show InChI InChI=1S/C22H28N4O/c1-4-6-14-23-22-24-18-12-7-8-13-19(18)26(22)15-20(27)25-21-16(3)10-9-11-17(21)5-2/h7-13H,4-6,14-15H2,1-3H3,(H,23,24)(H,25,27)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62113
PNG
((4-morpholin-4-ylcarbothioylphenyl) benzoate | MLS...)
Show SMILES O=C(Oc1ccc(cc1)C(=S)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C18H17NO3S/c20-18(15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)17(23)19-10-12-21-13-11-19/h1-9H,10-13H2
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62152
PNG
(2-Imino-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,1...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H25N5O3/c26-22-19(24(31)27-12-11-17-7-2-1-3-8-17)15-20-23(30(22)16-18-9-6-14-33-18)28-21-10-4-5-13-29(21)25(20)32/h1-5,7-8,10,13,15,18,26H,6,9,11-12,14,16H2,(H,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62158
PNG
(4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,...)
Show SMILES COc1ccc(OC)c(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-18-14-17(29-4)10-11-19(18)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62161
PNG
(2-Imino-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,1...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H27N5O3/c24-20-17(22(29)25-15-7-2-1-3-8-15)13-18-21(28(20)14-16-9-6-12-31-16)26-19-10-4-5-11-27(19)23(18)30/h4-5,10-11,13,15-16,24H,1-3,6-9,12,14H2,(H,25,29)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62163
PNG
(MLS001150506 | N-[2-(4-fluorophenyl)-2-(4-morpholi...)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC(N2CCOCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H28FN3O5S/c1-34-23-11-9-22(10-12-23)29-36(32,33)24-4-2-3-20(17-24)26(31)28-18-25(30-13-15-35-16-14-30)19-5-7-21(27)8-6-19/h2-12,17,25,29H,13-16,18H2,1H3,(H,28,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62059
PNG
(2-(5-Benzyl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3...)
Show SMILES O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC1CCCC1
Show InChI InChI=1S/C21H24N4O2S/c26-20(22-17-9-4-5-10-17)15-28-21-24-23-19(13-16-7-2-1-3-8-16)25(21)14-18-11-6-12-27-18/h1-3,6-8,11-12,17H,4-5,9-10,13-15H2,(H,22,26)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM41842
PNG
(4-(2-methylphenoxy)-6-phenyl-furo[2,3-d]pyrimidine...)
Show SMILES Cc1ccccc1Oc1ncnc2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62108
PNG
(MLS000733540 | N-butyl-3-[[4-[(E)-cinnamyl]piperaz...)
Show SMILES CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C27H35N5O/c1-3-4-15-29(2)27(33)26-24(32-17-9-8-14-25(32)28-26)22-31-20-18-30(19-21-31)16-10-13-23-11-6-5-7-12-23/h5-14,17H,3-4,15-16,18-22H2,1-2H3/b13-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62117
PNG
(5-amino-1-(4-bromobenzyl)-N-piperonyl-triazole-4-c...)
Show SMILES Nc1c(nnn1Cc1ccc(Br)cc1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H16BrN5O3/c19-13-4-1-11(2-5-13)9-24-17(20)16(22-23-24)18(25)21-8-12-3-6-14-15(7-12)27-10-26-14/h1-7H,8-10,20H2,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM30775
PNG
(2-azanylidene-N-[(4-fluorophenyl)methyl]-5-oxidany...)
Show SMILES Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
Show InChI InChI=1S/C24H22FN5O3/c25-16-8-6-15(7-9-16)13-27-23(31)18-12-19-22(28-20-5-1-2-10-29(20)24(19)32)30(21(18)26)14-17-4-3-11-33-17/h1-2,5-10,12,17,26H,3-4,11,13-14H2,(H,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62063
PNG
(MLS000083794 | N-(5-bromanyl-1-butyl-2-oxidanylide...)
Show SMILES CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc12
Show InChI InChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62064
PNG
(3-[(2,4-dimethoxyphenyl)sulfonylamino]-5-methoxy-1...)
Show SMILES CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C20H22N2O7S/c1-5-29-20(23)19-18(14-10-12(26-2)6-8-15(14)21-19)22-30(24,25)17-9-7-13(27-3)11-16(17)28-4/h6-11,21-22H,5H2,1-4H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62084
PNG
(MLS000519748 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62110
PNG
((2-chlorophenyl)-[3-(2-methylbenzyl)-3-methylol-pi...)
Show SMILES Cc1ccccc1CC1(CO)CCCN(C1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H24ClNO2/c1-16-7-2-3-8-17(16)13-21(15-24)11-6-12-23(14-21)20(25)18-9-4-5-10-19(18)22/h2-5,7-10,24H,6,11-15H2,1H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62129
PNG
(5-[(4-methoxyphenyl)thiocarbamoylamino]-1H-pyrazol...)
Show SMILES CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccc(OC)cc1
Show InChI InChI=1S/C14H16N4O3S/c1-3-21-13(19)11-8-15-18-12(11)17-14(22)16-9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H3,15,16,17,18,22)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62134
PNG
(1-(2-fluorophenyl)-3-(6-mesyl-1,3-benzothiazol-2-y...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3F)sc2c1
Show InChI InChI=1S/C15H12FN3O3S2/c1-24(21,22)9-6-7-12-13(8-9)23-15(18-12)19-14(20)17-11-5-3-2-4-10(11)16/h2-8H,1H3,(H2,17,18,19,20)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62146
PNG
(MLS001030381 | N-(3-methoxyphenyl)-2-[4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(OC)c2)CC1
Show InChI InChI=1S/C20H25N3O5S/c1-27-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)15-20(24)21-16-4-3-5-18(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62149
PNG
(MLS001034815 | SMR000670869 | [3-(1-azepanylsulfon...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H28N2O3S/c1-16-9-10-17(19(22)20-11-5-4-6-12-20)15-18(16)25(23,24)21-13-7-2-3-8-14-21/h9-10,15H,2-8,11-14H2,1H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62061
PNG
(1-Cyclohexyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)...)
Show SMILES CCCCC(N1CCN(CC1)C1CCCCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62067
PNG
(MLS000044184 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(CC1CCCO1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H34N2O5/c28-23(18-10-11-21-22(15-18)32-17-31-21)27(16-20-9-6-14-30-20)25(12-4-1-5-13-25)24(29)26-19-7-2-3-8-19/h10-11,15,19-20H,1-9,12-14,16-17H2,(H,26,29)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62100
PNG
(4-[(3-bromobenzyl)amino]benzoic acid | 4-[(3-bromo...)
Show SMILES OC(=O)c1ccc(NCc2cccc(Br)c2)cc1
Show InChI InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-16-13-6-4-11(5-7-13)14(17)18/h1-8,16H,9H2,(H,17,18)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62153
PNG
(MLS001221314 | N'-[2-(cyclohexylamino)-2-keto-ethy...)
Show SMILES Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
Show InChI InChI=1S/C25H32N4O3/c1-19-10-5-6-13-21(19)29(18-24(31)27-20-11-3-2-4-12-20)25(32)16-9-15-23(30)28-22-14-7-8-17-26-22/h5-8,10,13-14,17,20H,2-4,9,11-12,15-16,18H2,1H3,(H,27,31)(H,26,28,30)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62155
PNG
(Furan-2-carboxylic acid [cyclohexylcarbamoyl-(3,4,...)
Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)c1ccco1)c1ccccc1OC)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H34N2O7/c1-34-22-14-9-8-13-21(22)31(29(33)23-15-10-16-38-23)26(28(32)30-20-11-6-5-7-12-20)19-17-24(35-2)27(37-4)25(18-19)36-3/h8-10,13-18,20,26H,5-7,11-12H2,1-4H3,(H,30,32)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62156
PNG
(5-Nitro-furan-2-carboxylic acid [2-(4-isobutyryl-p...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N4O5/c1-13(2)19(25)22-11-9-21(10-12-22)15-6-4-3-5-14(15)20-18(24)16-7-8-17(28-16)23(26)27/h3-8,13H,9-12H2,1-2H3,(H,20,24)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62068
PNG
(MLS000095009 | N-[1-(cyclohexylamino)-2-methyl-1-o...)
Show SMILES CCC(C)(N(Cc1ccco1)C(=O)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H30N2O5/c1-3-24(2,23(28)25-18-8-5-4-6-9-18)26(15-19-10-7-13-29-19)22(27)17-11-12-20-21(14-17)31-16-30-20/h7,10-14,18H,3-6,8-9,15-16H2,1-2H3,(H,25,28)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62082
PNG
(MLS000521056 | N-cyclooctyl-2-(2-furanylmethyl)-3-...)
Show SMILES O=C(NC1CCCCCCC1)C1N(Cc2ccco2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H26N2O3/c25-21(23-16-9-4-2-1-3-5-10-16)20-18-12-6-7-13-19(18)22(26)24(20)15-17-11-8-14-27-17/h6-8,11-14,16,20H,1-5,9-10,15H2,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62097
PNG
(MLS000584457 | N-cyclooctyl-3-keto-2-(2-thenyl)iso...)
Show SMILES O=C(NC1CCCCCCC1)C1N(Cc2cccs2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H26N2O2S/c25-21(23-16-9-4-2-1-3-5-10-16)20-18-12-6-7-13-19(18)22(26)24(20)15-17-11-8-14-27-17/h6-8,11-14,16,20H,1-5,9-10,15H2,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62099
PNG
(2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-1-triazo...)
Show SMILES Cc1ccccc1NC(=O)Cn1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-14-7-5-6-8-17(14)23-18(27)13-26-19(22)20(24-25-26)30(28,29)16-11-9-15(10-12-16)21(2,3)4/h5-12H,13,22H2,1-4H3,(H,23,27)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM42446
PNG
(1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methy...)
Show SMILES COc1ccc(cc1)-c1noc(CN2CCCCC2c2nccn2C)n1
Show InChI InChI=1S/C19H23N5O2/c1-23-12-10-20-19(23)16-5-3-4-11-24(16)13-17-21-18(22-26-17)14-6-8-15(25-2)9-7-14/h6-10,12,16H,3-5,11,13H2,1-2H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62150
PNG
(1-[3-(4-fluorophenyl)-4-isoxazolo[5,4-d]pyrimidiny...)
Show SMILES Cc1ccccc1NC(=O)C1CCCN(C1)c1ncnc2onc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C24H22FN5O2/c1-15-5-2-3-7-19(15)28-23(31)17-6-4-12-30(13-17)22-20-21(16-8-10-18(25)11-9-16)29-32-24(20)27-14-26-22/h2-3,5,7-11,14,17H,4,6,12-13H2,1H3,(H,28,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62160
PNG
(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Show SMILES COc1ccccc1N(C(C(=O)NC1CCCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
Show InChI InChI=1S/C24H27N5O5S/c1-33-16-11-6-5-10-15(16)29(24(32)21-18(25)19(22(26)30)28-35-21)20(17-12-7-13-34-17)23(31)27-14-8-3-2-4-9-14/h5-7,10-14,20H,2-4,8-9,25H2,1H3,(H2,26,30)(H,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62165
PNG
(MLS001129140 | N-(6-amino-1-butyl-2,4-diketo-pyrim...)
Show SMILES CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(COc3ccccc3)o2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H30N4O5/c1-4-5-13-27-21(25)20(22(29)26-24(27)31)28(14-16(2)3)23(30)19-12-11-18(33-19)15-32-17-9-7-6-8-10-17/h6-12,16H,4-5,13-15,25H2,1-3H3,(H,26,29,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62066
PNG
(2-(3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]...)
Show SMILES CCc1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
Show InChI InChI=1S/C20H21ClN4O2/c1-2-13-6-3-4-7-15(13)23-18(26)12-25-17-10-14(21)11-22-19(17)24-9-5-8-16(24)20(25)27/h3-4,6-7,10-11,16H,2,5,8-9,12H2,1H3,(H,23,26)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62070
PNG
(5-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)benzyl]t...)
Show SMILES Clc1ccccc1-c1nnn(Cc2ccc(cc2)-c2nnn[nH]2)n1
Show InChI InChI=1S/C15H11ClN8/c16-13-4-2-1-3-12(13)15-19-23-24(20-15)9-10-5-7-11(8-6-10)14-17-21-22-18-14/h1-8H,9H2,(H,17,18,21,22)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62071
PNG
(MLS000062566 | N-(2-furanylmethyl)-1-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccco1
Show InChI InChI=1S/C18H22N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM54782
PNG
(MLS000519747 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
Show InChI InChI=1S/C23H29N3O3/c27-21(20-12-4-7-15-24-20)26(17-19-11-8-16-29-19)23(13-5-1-6-14-23)22(28)25-18-9-2-3-10-18/h4,7-8,11-12,15-16,18H,1-3,5-6,9-10,13-14,17H2,(H,25,28)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62092
PNG
(2-furancarboxylic acid [4-[[[2-(4-methylanilino)-1...)
Show SMILES Cc1ccc(NCC(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C21H19N3O4/c1-15-4-8-17(9-5-15)22-14-20(25)24-23-13-16-6-10-18(11-7-16)28-21(26)19-3-2-12-27-19/h2-13,22H,14H2,1H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62114
PNG
(2-[[(2-acetamido-5-bromo-phenyl)-phenyl-methyl]ami...)
Show SMILES CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
Show InChI InChI=1S/C19H21BrN2O3/c1-3-25-18(24)12-21-19(14-7-5-4-6-8-14)16-11-15(20)9-10-17(16)22-13(2)23/h4-11,19,21H,3,12H2,1-2H3,(H,22,23)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62075
PNG
(5-amino-N-(2,4-dimethoxyphenyl)-1-(4-ethylbenzyl)t...)
Show SMILES CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1
Show InChI InChI=1S/C20H23N5O3/c1-4-13-5-7-14(8-6-13)12-25-19(21)18(23-24-25)20(26)22-16-10-9-15(27-2)11-17(16)28-3/h5-11H,4,12,21H2,1-3H3,(H,22,26)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62078
PNG
((5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1...)
Show SMILES CCOC(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C17H17N3O5S3/c1-2-24-15(21)11-27-17-20-19-16(25-17)12-5-7-14(8-6-12)28(22,23)18-10-13-4-3-9-26-13/h3-9,18H,2,10-11H2,1H3
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62091
PNG
((4-chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccc(Cl)cc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H12ClN5O5/c17-10-1-3-11(4-2-10)18-15-16(22(24)25)19-20(21(15)23)12-5-6-13-14(9-12)27-8-7-26-13/h1-6,9,23H,7-8H2/b18-15-
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62123
PNG
(5-bromanyl-1-[(6-methylquinolin-8-yl)methyl]pyridi...)
Show SMILES Cc1cc(Cn2cc(Br)ccc2=[NH2+])c2ncccc2c1
Show InChI InChI=1S/C16H14BrN3/c1-11-7-12-3-2-6-19-16(12)13(8-11)9-20-10-14(17)4-5-15(20)18/h2-8,10,18H,9H2,1H3/p+1
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62133
PNG
(1-(4-chlorobenzyl)-3-(2,4-dimethylphenyl)thiourea ...)
Show SMILES Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)c(C)c1
Show InChI InChI=1S/C16H17ClN2S/c1-11-3-8-15(12(2)9-11)19-16(20)18-10-13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62136
PNG
(4-N,4-N-dimethyl-1-N-(5-nitropyridin-2-yl)benzene-...)
Show SMILES CN(C)c1ccc(Nc2ccc(cn2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H14N4O2/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(9-14-13)17(18)19/h3-9H,1-2H3,(H,14,15)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62141
PNG
(1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol...)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1
Show InChI InChI=1S/C14H11FN4O3S2/c15-8-1-3-9(4-2-8)17-13(20)19-14-18-11-6-5-10(24(16,21)22)7-12(11)23-14/h1-7H,(H2,16,21,22)(H2,17,18,19,20)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62154
PNG
(2-Imino-1-(3-morpholin-4-yl-propyl)-10-oxo-1,10-di...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1CCCN1CCOCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H30N6O3/c28-24-21(26(34)29-11-10-20-7-2-1-3-8-20)19-22-25(30-23-9-4-5-13-32(23)27(22)35)33(24)14-6-12-31-15-17-36-18-16-31/h1-5,7-9,13,19,28H,6,10-12,14-18H2,(H,29,34)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62164
PNG
(MLS001123793 | N-(1,3-diketoisoindolin-5-yl)-2-(4-...)
Show SMILES COc1ccc(OCC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C17H14N2O5/c1-23-11-3-5-12(6-4-11)24-9-15(20)18-10-2-7-13-14(8-10)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
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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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62080
PNG
(MLS000527099 | N-Cyclopentyl-2-[furan-2-ylmethyl-(...)
Show SMILES O=C(Cc1cccs1)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3S/c27-22(16-21-13-7-15-30-21)26(17-20-12-6-14-29-20)23(18-8-2-1-3-9-18)24(28)25-19-10-4-5-11-19/h1-3,6-9,12-15,19,23H,4-5,10-11,16-17H2,(H,25,28)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62102
PNG
(2-[(4-fluorobenzyl)-(4-methoxyphenyl)sulfonyl-amin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H28FN3O7S2/c1-36-23-8-12-25(13-9-23)39(34,35)30(18-20-2-4-21(27)5-3-20)19-26(31)28-22-6-10-24(11-7-22)38(32,33)29-14-16-37-17-15-29/h2-13H,14-19H2,1H3,(H,28,31)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62119
PNG
((2E)-2-[[2-(4-methoxyphenyl)cyclopropyl]-nitroso-m...)
Show SMILES COc1ccc(cc1)C1CC1C(N=O)c1ccccn1
Show InChI InChI=1S/C16H16N2O2/c1-20-12-7-5-11(6-8-12)13-10-14(13)16(18-19)15-4-2-3-9-17-15/h2-9,13-14,16H,10H2,1H3
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62125
PNG
(2-[[2-(3-cyanoanilino)-2-keto-ethyl]-ethyl-amino]-...)
Show SMILES CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C20H22N4O3/c1-3-24(13-19(25)22-16-7-4-6-15(10-16)12-21)14-20(26)23-17-8-5-9-18(11-17)27-2/h4-11H,3,13-14H2,1-2H3,(H,22,25)(H,23,26)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62126
PNG
(2-[2,4-Dibromo-6-(diphenyl-phosphinoylmethyl)-phen...)
Show SMILES OCCOc1c(Br)cc(Br)cc1CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H19Br2O3P/c22-17-13-16(21(20(23)14-17)26-12-11-24)15-27(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-14,24H,11-12,15H2
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens)
BDBM62157
PNG
(MLS001221698 | N-[2-(cyclohexylamino)-2-keto-1-(4-...)
Show SMILES CCc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)c1csnn1
Show InChI InChI=1S/C24H27N5O2S/c1-2-17-8-10-20(11-9-17)29(24(31)21-16-32-28-27-21)22(18-12-14-25-15-13-18)23(30)26-19-6-4-3-5-7-19/h8-16,19,22H,2-7H2,1H3,(H,26,30)
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n/an/a 4.38E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%