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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.0
BDBM50090271

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50090271
PNG
(2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...)
Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C29H32ClN5O2/c30-22-15-12-21(13-16-22)26(20-8-2-1-3-9-20)28(37)35-25(11-6-18-33-29(31)32)27(36)34-24-17-14-19-7-4-5-10-23(19)24/h1-5,7-10,12-13,15-16,24-26H,6,11,14,17-18H2,(H,34,36)(H,35,37)(H4,31,32,33)/t24-,25?,26?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine NPY (10 nM) stimulated increase in the intracellular [Ca2+] concentr...


Bioorg Med Chem Lett 10: 1597-600 (2000)


BindingDB Entry DOI: 10.7270/Q2HD7TWN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50090271
PNG
(2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...)
Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C29H32ClN5O2/c30-22-15-12-21(13-16-22)26(20-8-2-1-3-9-20)28(37)35-25(11-6-18-33-29(31)32)27(36)34-24-17-14-19-7-4-5-10-23(19)24/h1-5,7-10,12-13,15-16,24-26H,6,11,14,17-18H2,(H,34,36)(H,35,37)(H4,31,32,33)/t24-,25?,26?/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-propionyl-NPY (1 nM) to Neuropeptide Y receptor type 1 in SK-N-MC cells


Bioorg Med Chem Lett 10: 1597-600 (2000)


BindingDB Entry DOI: 10.7270/Q2HD7TWN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50090271
PNG
(2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...)
Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C29H32ClN5O2/c30-22-15-12-21(13-16-22)26(20-8-2-1-3-9-20)28(37)35-25(11-6-18-33-29(31)32)27(36)34-24-17-14-19-7-4-5-10-23(19)24/h1-5,7-10,12-13,15-16,24-26H,6,11,14,17-18H2,(H,34,36)(H,35,37)(H4,31,32,33)/t24-,25?,26?/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-propionyl-NPY (1 nM) to Neuropeptide Y receptor type 5 in HEC-1-B cells


Bioorg Med Chem Lett 10: 1597-600 (2000)


BindingDB Entry DOI: 10.7270/Q2HD7TWN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50090271
PNG
(2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...)
Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C29H32ClN5O2/c30-22-15-12-21(13-16-22)26(20-8-2-1-3-9-20)28(37)35-25(11-6-18-33-29(31)32)27(36)34-24-17-14-19-7-4-5-10-23(19)24/h1-5,7-10,12-13,15-16,24-26H,6,11,14,17-18H2,(H,34,36)(H,35,37)(H4,31,32,33)/t24-,25?,26?/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-propionyl-NPY (1 nM) to Neuropeptide Y receptor type 2 in SMS-KAN cell membranes


Bioorg Med Chem Lett 10: 1597-600 (2000)


BindingDB Entry DOI: 10.7270/Q2HD7TWN
More data for this
Ligand-Target Pair