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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50150836   
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
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
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Article
PubMed
26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
PDB

KEGG

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PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 4 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

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PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 1 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 3 receptor


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair