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BDBM50189011 (S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-guanidinopropyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide::CHEMBL211975

SMILES: [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1

InChI Key: InChIKey=KFZNXVCUWNNJMQ-PVHODMMVSA-N

Data: 3 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50189011   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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239n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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659n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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n/an/an/an/a 526n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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n/an/an/an/a 41n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair