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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1038.2
BDBM50442563

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

Found 2 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 2


(Homo sapiens (Human))
BDBM50442563
PNG
(CHEMBL2440922)
Show SMILES NCCCCCCNC(=O)NC(N)=NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r,w:13.13|
Show InChI InChI=1S/C56H71N13O7/c57-29-15-1-2-16-30-61-53(74)64-52(58)60-31-17-26-46(51(73)59-32-33-67-54(75)68(40-18-5-3-6-19-40)69(55(67)76)41-20-7-4-8-21-41)62-47(70)38-56(27-13-14-28-56)39-48(71)65-34-36-66(37-35-65)49-42-22-9-10-23-43(42)50(72)63-45-25-12-11-24-44(45)49/h3-12,18-25,46,49H,1-2,13-17,26-39,57H2,(H,59,73)(H,62,70)(H,63,72)(H4,58,60,61,64,74)/t46-,49?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 2 receptor expressed in CHO cells using Cy5-pNPY by flow cytometric analysis


Bioorg Med Chem 21: 6303-22 (2013)


Article DOI: 10.1016/j.bmc.2013.08.065
BindingDB Entry DOI: 10.7270/Q2J104MN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50442563
PNG
(CHEMBL2440922)
Show SMILES NCCCCCCNC(=O)NC(N)=NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r,w:13.13|
Show InChI InChI=1S/C56H71N13O7/c57-29-15-1-2-16-30-61-53(74)64-52(58)60-31-17-26-46(51(73)59-32-33-67-54(75)68(40-18-5-3-6-19-40)69(55(67)76)41-20-7-4-8-21-41)62-47(70)38-56(27-13-14-28-56)39-48(71)65-34-36-66(37-35-65)49-42-22-9-10-23-43(42)50(72)63-45-25-12-11-24-44(45)49/h3-12,18-25,46,49H,1-2,13-17,26-39,57H2,(H,59,73)(H,62,70)(H,63,72)(H4,58,60,61,64,74)/t46-,49?/m0/s1
PDB

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UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells


Bioorg Med Chem 21: 6303-22 (2013)


Article DOI: 10.1016/j.bmc.2013.08.065
BindingDB Entry DOI: 10.7270/Q2J104MN
More data for this
Ligand-Target Pair