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2 similar compounds to monomer 50060731

Compile data set for download or QSAR
Wt: 368.9
BDBM50060727
Wt: 452.0
BDBM50060729

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50060727,50060729   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060729
PNG
(1'-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C27H34ClN3O/c1-29-26-8-4-3-7-24(26)25(27(29)20-32-23-11-9-21(28)10-12-23)19-30-17-13-22(14-18-30)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-20H2,1H3
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Article
PubMed
559n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060727
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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Article
PubMed
2.31E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY


J Med Chem 41: 2709-19 (1998)


Article DOI: 10.1021/jm9706630
BindingDB Entry DOI: 10.7270/Q2TD9WGN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060727
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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PubMed
2.32E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50060729
PNG
(1'-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C27H34ClN3O/c1-29-26-8-4-3-7-24(26)25(27(29)20-32-23-11-9-21(28)10-12-23)19-30-17-13-22(14-18-30)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-20H2,1H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 2


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50060727
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 4


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50060729
PNG
(1'-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C27H34ClN3O/c1-29-26-8-4-3-7-24(26)25(27(29)20-32-23-11-9-21(28)10-12-23)19-30-17-13-22(14-18-30)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-20H2,1H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 5


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50060727
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 5


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50060729
PNG
(1'-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C27H34ClN3O/c1-29-26-8-4-3-7-24(26)25(27(29)20-32-23-11-9-21(28)10-12-23)19-30-17-13-22(14-18-30)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-20H2,1H3
Reactome pathway
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 4


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50060727
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
Reactome pathway
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 2


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair