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64 similar compounds to monomer 75901

Compile data set for download or QSAR
Wt: 250.6
BDBM33338
Purchase
Wt: 264.7
BDBM33345
Wt: 342.7
BDBM62088
Purchase
Wt: 312.7
BDBM75872
Wt: 372.8
BDBM75873
Wt: 356.8
BDBM75878
Wt: 342.7
BDBM75880
Wt: 348.7
BDBM75881
Wt: 344.7
BDBM75882
Wt: 380.7
BDBM75883
Wt: 396.7
BDBM75884
Wt: 360.7
BDBM75885
Wt: 340.8
BDBM75886
Wt: 370.8
BDBM75887
Wt: 355.8
BDBM75888
Displayed 1 to 15 (of 64 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 33338,33345,62088,75872,75873,75878,75880,75881,75882,75883,75884,75885,75886,75887,75888   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM33338
PNG
(pyridazinone, 2-25)
Show SMILES COc1c(Cl)cnn(-c2cccc(C)c2)c1=O
Show InChI InChI=1S/C12H11ClN2O2/c1-8-4-3-5-9(6-8)15-12(16)11(17-2)10(13)7-14-15/h3-7H,1-2H3
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MMDB

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of California Los Angeles



Assay Description
A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...


Bioorg Med Chem 17: 7174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.08.067
BindingDB Entry DOI: 10.7270/Q26W98F0
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62088
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


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


(Homo sapiens (Human))
BDBM62088
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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n/an/a 1.70E+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/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75872
PNG
(5-chloranyl-2-(4-methylphenyl)-4-phenoxy-pyridazin...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccccc2)c1=O
Show InChI InChI=1S/C17H13ClN2O2/c1-12-7-9-13(10-8-12)20-17(21)16(15(18)11-19-20)22-14-5-3-2-4-6-14/h2-11H,1H3
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n/an/a 1.37E+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/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75873
PNG
(5-chloranyl-4-(3,4-dimethoxyphenoxy)-2-(4-methylph...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OC
Show InChI InChI=1S/C19H17ClN2O4/c1-12-4-6-13(7-5-12)22-19(23)18(15(20)11-21-22)26-14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75878
PNG
(5-chloranyl-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)...)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-3-24-15-8-10-16(11-9-15)25-18-17(20)12-21-22(19(18)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75880
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-meth...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C18H15ClN2O3/c1-12-2-6-14(7-3-12)21-18(23)17(16(19)10-20-21)24-15-8-4-13(11-22)5-9-15/h2-10,22H,11H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75881
PNG
(4-[2,4-bis(fluoranyl)phenoxy]-5-chloranyl-2-(4-met...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C17H11ClF2N2O2/c1-10-2-5-12(6-3-10)22-17(23)16(13(18)9-21-22)24-15-7-4-11(19)8-14(15)20/h2-9H,1H3
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n/an/a 1.74E+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/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75882
PNG
(5-chloranyl-4-(4-fluoranyl-2-methyl-phenoxy)-2-(4-...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2C)c1=O
Show InChI InChI=1S/C18H14ClFN2O2/c1-11-3-6-14(7-4-11)22-18(23)17(15(19)10-21-22)24-16-8-5-13(20)9-12(16)2/h3-10H,1-2H3
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n/an/a 1.70E+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/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75883
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H12ClF3N2O2/c1-11-2-6-13(7-3-11)24-17(25)16(15(19)10-23-24)26-14-8-4-12(5-9-14)18(20,21)22/h2-10H,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75884
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75885
PNG
(5-chloranyl-4-(4-fluoranyl-2-methoxy-phenoxy)-2-(4...)
Show SMILES COc1cc(F)ccc1Oc1c(Cl)cnn(-c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C18H14ClFN2O3/c1-11-3-6-13(7-4-11)22-18(23)17(14(19)10-21-22)25-15-8-5-12(20)9-16(15)24-2/h3-10H,1-2H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75886
PNG
(5-chloranyl-4-(4-ethylphenoxy)-2-(4-methylphenyl)p...)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM75888
PNG
(4-(4-aminophenoxy)-5-chloro-2-(4-propan-2-ylphenyl...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(N)cc2)c1=O
Show InChI InChI=1S/C19H18ClN3O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(20)11-22-23)25-16-9-5-14(21)6-10-16/h3-12H,21H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62088
PNG
(5-chloranyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75878
PNG
(5-chloranyl-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)...)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-3-24-15-8-10-16(11-9-15)25-18-17(20)12-21-22(19(18)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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n/an/a 983n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75880
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-meth...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C18H15ClN2O3/c1-12-2-6-14(7-3-12)21-18(23)17(16(19)10-20-21)24-15-8-4-13(11-22)5-9-15/h2-10,22H,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75881
PNG
(4-[2,4-bis(fluoranyl)phenoxy]-5-chloranyl-2-(4-met...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C17H11ClF2N2O2/c1-10-2-5-12(6-3-10)22-17(23)16(13(18)9-21-22)24-15-7-4-11(19)8-14(15)20/h2-9H,1H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75883
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H12ClF3N2O2/c1-11-2-6-13(7-3-11)24-17(25)16(15(19)10-23-24)26-14-8-4-12(5-9-14)18(20,21)22/h2-10H,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75884
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3
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n/an/a 880n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75886
PNG
(5-chloranyl-4-(4-ethylphenoxy)-2-(4-methylphenyl)p...)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
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n/an/a 680n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75888
PNG
(4-(4-aminophenoxy)-5-chloro-2-(4-propan-2-ylphenyl...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(N)cc2)c1=O
Show InChI InChI=1S/C19H18ClN3O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(20)11-22-23)25-16-9-5-14(21)6-10-16/h3-12H,21H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75887
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-prop...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C20H19ClN2O3/c1-13(2)15-5-7-16(8-6-15)23-20(25)19(18(21)11-22-23)26-17-9-3-14(12-24)4-10-17/h3-11,13,24H,12H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75873
PNG
(5-chloranyl-4-(3,4-dimethoxyphenoxy)-2-(4-methylph...)
Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OC
Show InChI InChI=1S/C19H17ClN2O4/c1-12-4-6-13(7-5-12)22-19(23)18(15(20)11-21-22)26-14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75880
PNG
(5-chloranyl-4-[4-(hydroxymethyl)phenoxy]-2-(4-meth...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
Show InChI InChI=1S/C18H15ClN2O3/c1-12-2-6-14(7-3-12)21-18(23)17(16(19)10-20-21)24-15-8-4-13(11-22)5-9-15/h2-10,22H,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75886
PNG
(5-chloranyl-4-(4-ethylphenoxy)-2-(4-methylphenyl)p...)
Show SMILES CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O2/c1-3-14-6-10-16(11-7-14)24-18-17(20)12-21-22(19(18)23)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3
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n/an/a 680n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75883
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H12ClF3N2O2/c1-11-2-6-13(7-3-11)24-17(25)16(15(19)10-23-24)26-14-8-4-12(5-9-14)18(20,21)22/h2-10H,1H3
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n/an/a 880n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75884
PNG
(5-chloranyl-2-(4-methylphenyl)-4-[4-(trifluorometh...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75878
PNG
(5-chloranyl-4-(4-ethoxyphenoxy)-2-(4-methylphenyl)...)
Show SMILES CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c1-3-24-15-8-10-16(11-9-15)25-18-17(20)12-21-22(19(18)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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n/an/a 990n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM75872
PNG
(5-chloranyl-2-(4-methylphenyl)-4-phenoxy-pyridazin...)
Show SMILES Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccccc2)c1=O
Show InChI InChI=1S/C17H13ClN2O2/c1-12-7-9-13(10-8-12)20-17(21)16(15(18)11-19-20)22-14-5-3-2-4-6-14/h2-11H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay


Bioorg Med Chem Lett 22: 7135-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.074
BindingDB Entry DOI: 10.7270/Q2WS8VDC
More data for this
Ligand-Target Pair
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM33345
PNG
(pyridazinone, 2-32)
Show SMILES CCOc1c(Cl)cnn(-c2cccc(C)c2)c1=O
Show InChI InChI=1S/C13H13ClN2O2/c1-3-18-12-11(14)8-15-16(13(12)17)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
PDB
MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California Los Angeles



Assay Description
A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...


Bioorg Med Chem 17: 7174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.08.067
BindingDB Entry DOI: 10.7270/Q26W98F0
More data for this
Ligand-Target Pair