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BDBM50191556 (S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL214347

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1

InChI Key: InChIKey=GBTCAHLJDYHAKJ-OQIMXIDESA-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 = 50191556   
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))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
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10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
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42n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
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86n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R transfected in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 232n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R transfected in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 98n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R transfected in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair