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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'hayes' and Initial = 'jc'   
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 4


(Homo sapiens (Human))
BDBM50179466
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1
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5n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179460
PNG
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1
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9n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179460
PNG
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1
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10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179468
PNG
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)
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]-c1ccccc1
Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1
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13n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179460
PNG
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1
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23n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179467
PNG
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1
Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1
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24n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179468
PNG
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)
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]-c1ccccc1
Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1
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30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179461
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1
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37n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179464
PNG
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1
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71n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179464
PNG
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1
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76n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179459
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1
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104n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179463
PNG
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1
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214n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179465
PNG
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1
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214n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179462
PNG
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1
Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1
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220n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179464
PNG
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1
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382n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179468
PNG
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)
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]-c1ccccc1
Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1
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468n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179467
PNG
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1
Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1
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1.63E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179459
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179467
PNG
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1
Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1
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2.28E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179462
PNG
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1
Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1
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2.41E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179462
PNG
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1
Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1
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3.99E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179459
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1
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4.52E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179466
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179463
PNG
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1
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8.56E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179465
PNG
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1
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1.23E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179465
PNG
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179466
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1
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2.23E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179461
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1
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2.34E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC1 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179463
PNG
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1
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2.47E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179461
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1
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5.55E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152280
PNG
(CHEMBL364119 | Pyridine-2-carboxylic acid [(S)-1-(...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H45ClN10O5/c42-28-17-15-26(16-18-28)22-35(51-37(54)31-13-6-7-19-46-31)40(57)52-34(21-25-9-2-1-3-10-25)39(56)49-32(14-8-20-47-41(44)45)38(55)50-33(36(43)53)23-27-24-48-30-12-5-4-11-29(27)30/h1-7,9-13,15-19,24,32-35,48H,8,14,20-23H2,(H2,43,53)(H,49,56)(H,50,55)(H,51,54)(H,52,57)(H4,44,45,47)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 452n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152255
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(furan-2-ylami...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H44ClN9O5/c40-27-16-14-25(15-17-27)21-32(46-34-13-7-19-54-34)37(52)49-33(20-24-8-2-1-3-9-24)38(53)47-30(12-6-18-44-39(42)43)36(51)48-31(35(41)50)22-26-23-45-29-11-5-4-10-28(26)29/h1-5,7-11,13-17,19,23,30-33,45-46H,6,12,18,20-22H2,(H2,41,50)(H,47,53)(H,48,51)(H,49,52)(H4,42,43,44)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 913n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152272
PNG
(CHEMBL184466 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H45ClN10O5/c42-29-14-12-26(13-15-29)22-34(51-37(54)27-16-19-46-20-17-27)40(57)52-35(21-25-7-2-1-3-8-25)39(56)49-32(11-6-18-47-41(44)45)38(55)50-33(36(43)53)23-28-24-48-31-10-5-4-9-30(28)31/h1-5,7-10,12-17,19-20,24,32-35,48H,6,11,18,21-23H2,(H2,43,53)(H,49,56)(H,50,55)(H,51,54)(H,52,57)(H4,44,45,47)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 992n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152269
PNG
(CHEMBL360598 | N-[1-((S)-(S)-1-{1-[(S)-(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H45ClN10O5/c42-29-16-14-26(15-17-29)21-34(51-37(54)27-10-6-18-46-23-27)40(57)52-35(20-25-8-2-1-3-9-25)39(56)49-32(13-7-19-47-41(44)45)38(55)50-33(36(43)53)22-28-24-48-31-12-5-4-11-30(28)31/h1-6,8-12,14-18,23-24,32-35,48H,7,13,19-22H2,(H2,43,53)(H,49,56)(H,50,55)(H,51,54)(H,52,57)(H4,44,45,47)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 313n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152252
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(5-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C46H54ClN9O5/c47-34-23-21-32(22-24-34)27-39(53-41(57)20-10-7-14-30-12-3-1-4-13-30)44(60)56-40(26-31-15-5-2-6-16-31)45(61)54-37(19-11-25-51-46(49)50)43(59)55-38(42(48)58)28-33-29-52-36-18-9-8-17-35(33)36/h1-6,8-9,12-13,15-18,21-24,29,37-40,52H,7,10-11,14,19-20,25-28H2,(H2,48,58)(H,53,57)(H,54,61)(H,55,59)(H,56,60)(H4,49,50,51)/t37-,38-,39-,40-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152250
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-propionyla...)
Show SMILES CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H46ClN9O5/c1-2-33(49)45-31(20-24-14-16-26(39)17-15-24)36(52)48-32(19-23-9-4-3-5-10-23)37(53)46-29(13-8-18-43-38(41)42)35(51)47-30(34(40)50)21-25-22-44-28-12-7-6-11-27(25)28/h3-7,9-12,14-17,22,29-32,44H,2,8,13,18-21H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,51)(H,48,52)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 2.36E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152282
PNG
(2-{(S)-2-[(S)-2-Butyrylamino-3-(4-chloro-phenyl)-1...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H48ClN9O5/c1-2-9-34(50)46-32(21-25-15-17-27(40)18-16-25)37(53)49-33(20-24-10-4-3-5-11-24)38(54)47-30(14-8-19-44-39(42)43)36(52)48-31(35(41)51)22-26-23-45-29-13-7-6-12-28(26)29/h3-7,10-13,15-18,23,30-33,45H,2,8-9,14,19-22H2,1H3,(H2,41,51)(H,46,50)(H,47,54)(H,48,52)(H,49,53)(H4,42,43,44)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 827n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152249
PNG
(5-Oxo-5-phenyl-pentanoic acid [1-((S)-(S)-1-{1-[(S...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C46H52ClN9O6/c47-33-22-20-30(21-23-33)26-38(53-41(58)19-9-18-40(57)31-13-5-2-6-14-31)44(61)56-39(25-29-11-3-1-4-12-29)45(62)54-36(17-10-24-51-46(49)50)43(60)55-37(42(48)59)27-32-28-52-35-16-8-7-15-34(32)35/h1-8,11-16,20-23,28,36-39,52H,9-10,17-19,24-27H2,(H2,48,59)(H,53,58)(H,54,62)(H,55,60)(H,56,61)(H4,49,50,51)/t36-,37-,38-,39-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152288
PNG
(CHEMBL187167 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H45ClN10O6/c39-25-14-12-23(13-15-25)18-30(46-33(51)20-32(40)50)36(54)49-31(17-22-7-2-1-3-8-22)37(55)47-28(11-6-16-44-38(42)43)35(53)48-29(34(41)52)19-24-21-45-27-10-5-4-9-26(24)27/h1-5,7-10,12-15,21,28-31,45H,6,11,16-20H2,(H2,40,50)(H2,41,52)(H,46,51)(H,47,55)(H,48,53)(H,49,54)(H4,42,43,44)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 1.01E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152258
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-cyano-a...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H43ClN10O5/c39-26-14-12-24(13-15-26)20-31(46-33(50)16-17-40)36(53)49-32(19-23-7-2-1-3-8-23)37(54)47-29(11-6-18-44-38(42)43)35(52)48-30(34(41)51)21-25-22-45-28-10-5-4-9-27(25)28/h1-5,7-10,12-15,22,29-32,45H,6,11,16,18-21H2,(H2,41,51)(H,46,50)(H,47,54)(H,48,52)(H,49,53)(H4,42,43,44)/t29-,30-,31-,32-/m0/s1
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PubMed
n/an/an/an/a 3.04E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152251
PNG
(CHEMBL434329 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H43ClN10O6/c38-24-14-12-22(13-15-24)18-30(48-36(54)32(40)50)35(53)47-29(17-21-7-2-1-3-8-21)34(52)45-27(11-6-16-43-37(41)42)33(51)46-28(31(39)49)19-23-20-44-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,44H,6,11,16-19H2,(H2,39,49)(H2,40,50)(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H4,41,42,43)/t27-,28-,29-,30-/m0/s1
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n/an/an/an/a 164n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152256
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-methoxy...)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H46ClN9O6/c1-54-22-33(49)45-31(19-24-13-15-26(39)16-14-24)36(52)48-32(18-23-8-3-2-4-9-23)37(53)46-29(12-7-17-43-38(41)42)35(51)47-30(34(40)50)20-25-21-44-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,44H,7,12,17-20,22H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,51)(H,48,52)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 961n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152261
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-hydroxy...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H44ClN9O6/c38-25-14-12-23(13-15-25)18-30(44-32(49)21-48)35(52)47-31(17-22-7-2-1-3-8-22)36(53)45-28(11-6-16-42-37(40)41)34(51)46-29(33(39)50)19-24-20-43-27-10-5-4-9-26(24)27/h1-5,7-10,12-15,20,28-31,43,48H,6,11,16-19,21H2,(H2,39,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 1.45E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152275
PNG
(2-{(S)-2-[(S)-2-But-3-enoylamino-3-(4-chloro-pheny...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H46ClN9O5/c1-2-9-34(50)46-32(21-25-15-17-27(40)18-16-25)37(53)49-33(20-24-10-4-3-5-11-24)38(54)47-30(14-8-19-44-39(42)43)36(52)48-31(35(41)51)22-26-23-45-29-13-7-6-12-28(26)29/h2-7,10-13,15-18,23,30-33,45H,1,8-9,14,19-22H2,(H2,41,51)(H,46,50)(H,47,54)(H,48,52)(H,49,53)(H4,42,43,44)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 863n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152278
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C44H50ClN9O5/c45-32-20-17-30(18-21-32)25-37(51-39(55)22-19-28-10-3-1-4-11-28)42(58)54-38(24-29-12-5-2-6-13-29)43(59)52-35(16-9-23-49-44(47)48)41(57)53-36(40(46)56)26-31-27-50-34-15-8-7-14-33(31)34/h1-8,10-15,17-18,20-21,27,35-38,50H,9,16,19,22-26H2,(H2,46,56)(H,51,55)(H,52,59)(H,53,57)(H,54,58)(H4,47,48,49)/t35-,36-,37-,38-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152281
PNG
((S)-2-((S)-2-{(S)-3-(4-Chloro-phenyl)-2-[4-(4-fluo...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H49ClFN9O6/c46-31-16-12-28(13-17-31)24-37(53-40(58)21-20-39(57)29-14-18-32(47)19-15-29)43(61)56-38(23-27-7-2-1-3-8-27)44(62)54-35(11-6-22-51-45(49)50)42(60)55-36(41(48)59)25-30-26-52-34-10-5-4-9-33(30)34/h1-5,7-10,12-19,26,35-38,52H,6,11,20-25H2,(H2,48,59)(H,53,58)(H,54,62)(H,55,60)(H,56,61)(H4,49,50,51)/t35-,36-,37-,38-/m0/s1
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n/an/an/an/a 203n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152279
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-1-oxo-2-phenylac...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H48ClN9O5/c44-31-19-17-29(18-20-31)23-36(50-38(54)24-28-12-5-2-6-13-28)41(57)53-37(22-27-10-3-1-4-11-27)42(58)51-34(16-9-21-48-43(46)47)40(56)52-35(39(45)55)25-30-26-49-33-15-8-7-14-32(30)33/h1-8,10-15,17-20,26,34-37,49H,9,16,21-25H2,(H2,45,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,46,47,48)/t34-,35-,36-,37-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152266
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-1-oxo-2-(4-pheny...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H52ClN9O5/c46-33-22-20-31(21-23-33)26-38(52-40(56)19-9-15-29-11-3-1-4-12-29)43(59)55-39(25-30-13-5-2-6-14-30)44(60)53-36(18-10-24-50-45(48)49)42(58)54-37(41(47)57)27-32-28-51-35-17-8-7-16-34(32)35/h1-8,11-14,16-17,20-23,28,36-39,51H,9-10,15,18-19,24-27H2,(H2,47,57)(H,52,56)(H,53,60)(H,54,58)(H,55,59)(H4,48,49,50)/t36-,37-,38-,39-/m0/s1
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n/an/an/an/a 207n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152276
PNG
((S)-2-{(S)-2-[(S)-2-(3-Allyl-ureido)-3-(4-chloro-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)NCC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H47ClN10O5/c1-2-18-45-39(55)50-33(21-25-14-16-27(40)17-15-25)37(54)49-32(20-24-9-4-3-5-10-24)36(53)47-30(13-8-19-44-38(42)43)35(52)48-31(34(41)51)22-26-23-46-29-12-7-6-11-28(26)29/h2-7,9-12,14-17,23,30-33,46H,1,8,13,18-22H2,(H2,41,51)(H,47,53)(H,48,52)(H,49,54)(H4,42,43,44)(H2,45,50,55)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152262
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-methanesul...)
Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H44ClN9O6S/c1-53(51,52)46-31(19-23-13-15-25(37)16-14-23)35(50)45-30(18-22-8-3-2-4-9-22)34(49)43-28(12-7-17-41-36(39)40)33(48)44-29(32(38)47)20-24-21-42-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,42,46H,7,12,17-20H2,1H3,(H2,38,47)(H,43,49)(H,44,48)(H,45,50)(H4,39,40,41)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 6.70E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 3 receptor


Bioorg Med Chem Lett 14: 4839-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.046
BindingDB Entry DOI: 10.7270/Q2445KX8
More data for this
Ligand-Target Pair
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