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Compile Data Set for Download or QSAR

Found 216 hits Enz. Inhib. hit(s) with all data for entry = 50018120   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191554
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1
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0.650n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191569
PNG
((S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32-,33+/m0/s1
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1.30n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
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4.70n/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 4


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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))
BDBM50189018
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O
Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1
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13n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191580
PNG
((2R,4R)-1-((R)-2-((S)-2-acetamido-3-(1H-imidazol-4...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H43N9O5/c1-23(46)43-30(17-28-19-39-22-42-28)33(47)44-31(16-24-7-3-2-4-8-24)35(49)45-20-29(18-32(45)34(48)40-13-14-41-36(37)38)50-21-25-11-12-26-9-5-6-10-27(26)15-25/h2-12,15,19,22,29-32H,13-14,16-18,20-21H2,1H3,(H,39,42)(H,40,48)(H,43,46)(H,44,47)(H4,37,38,41)/t29-,30+,31-,32-/m1/s1
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13n/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 4


(Homo sapiens (Human))
BDBM50191565
PNG
((S)-2-acetamido-N-((R)-1-((2R,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32+,33-/m1/s1
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14n/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))
BDBM50191551
PNG
((2R,4R)-1-((R)-2-((S)-2-amino-3-(1H-imidazol-4-yl)...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H41N9O4/c35-28(16-26-18-38-21-41-26)31(44)42-29(15-22-6-2-1-3-7-22)33(46)43-19-27(17-30(43)32(45)39-12-13-40-34(36)37)47-20-23-10-11-24-8-4-5-9-25(24)14-23/h1-11,14,18,21,27-30H,12-13,15-17,19-20,35H2,(H,38,41)(H,39,45)(H,42,44)(H4,36,37,40)/t27-,28+,29-,30-/m1/s1
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15n/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 4


(Homo sapiens (Human))
BDBM50191554
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1
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17n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191553
PNG
((S)-2-acetamido-N1-((R)-1-((2S,4R)-2-(3-guanidinop...)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H45N7O5/c1-23(43)40-30(15-16-32(36)44)33(45)41-31(19-24-8-3-2-4-9-24)34(46)42-21-29(20-28(42)12-7-17-39-35(37)38)47-22-25-13-14-26-10-5-6-11-27(26)18-25/h2-6,8-11,13-14,18,28-31H,7,12,15-17,19-22H2,1H3,(H2,36,44)(H,40,43)(H,41,45)(H4,37,38,39)/t28-,29+,30-,31+/m0/s1
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18n/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))
BDBM50191577
PNG
((S)-N-((R)-1-((2R,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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-/m1/s1
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19n/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 4


(Homo sapiens (Human))
BDBM50191563
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/m0/s1
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21n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50191554
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1
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26n/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))
BDBM50189018
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O
Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1
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29n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191576
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29+,30-,31+/m0/s1
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31n/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))
BDBM50191553
PNG
((S)-2-acetamido-N1-((R)-1-((2S,4R)-2-(3-guanidinop...)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H45N7O5/c1-23(43)40-30(15-16-32(36)44)33(45)41-31(19-24-8-3-2-4-9-24)34(46)42-21-29(20-28(42)12-7-17-39-35(37)38)47-22-25-13-14-26-10-5-6-11-27(26)18-25/h2-6,8-11,13-14,18,28-31H,7,12,15-17,19-22H2,1H3,(H2,36,44)(H,40,43)(H,41,45)(H4,37,38,39)/t28-,29+,30-,31+/m0/s1
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35n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50034910
PNG
((S)-2-{(S)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)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/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28-,29-/m0/s1
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35n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191576
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29+,30-,31+/m0/s1
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40n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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 (MC3R)


(Homo sapiens (Human))
BDBM50191563
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/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 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))
BDBM50191578
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H42N6O3/c34-33(35)37-17-6-12-27-20-28(42-22-24-14-15-25-10-4-5-11-26(25)18-24)21-39(27)32(41)30(19-23-8-2-1-3-9-23)38-31(40)29-13-7-16-36-29/h1-5,8-11,14-15,18,27-30,36H,6-7,12-13,16-17,19-22H2,(H,38,40)(H4,34,35,37)/t27-,28+,29-,30+/m0/s1
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46n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50191553
PNG
((S)-2-acetamido-N1-((R)-1-((2S,4R)-2-(3-guanidinop...)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H45N7O5/c1-23(43)40-30(15-16-32(36)44)33(45)41-31(19-24-8-3-2-4-9-24)34(46)42-21-29(20-28(42)12-7-17-39-35(37)38)47-22-25-13-14-26-10-5-6-11-27(26)18-25/h2-6,8-11,13-14,18,28-31H,7,12,15-17,19-22H2,1H3,(H2,36,44)(H,40,43)(H,41,45)(H4,37,38,39)/t28-,29+,30-,31+/m0/s1
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50n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191578
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H42N6O3/c34-33(35)37-17-6-12-27-20-28(42-22-24-14-15-25-10-4-5-11-26(25)18-24)21-39(27)32(41)30(19-23-8-2-1-3-9-23)38-31(40)29-13-7-16-36-29/h1-5,8-11,14-15,18,27-30,36H,6-7,12-13,16-17,19-22H2,(H,38,40)(H4,34,35,37)/t27-,28+,29-,30+/m0/s1
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55n/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 4


(Homo sapiens (Human))
BDBM50191569
PNG
((S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32-,33+/m0/s1
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57n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191573
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O4/c1-27(46)43-35(22-28-11-4-2-5-12-28)37(47)44-36(23-29-13-6-3-7-14-29)38(48)45-25-34(24-33(45)17-10-20-42-39(40)41)49-26-30-18-19-31-15-8-9-16-32(31)21-30/h2-9,11-16,18-19,21,33-36H,10,17,20,22-26H2,1H3,(H,43,46)(H,44,47)(H4,40,41,42)/t33-,34+,35-,36+/m0/s1
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59n/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))
BDBM50191563
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/m0/s1
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85n/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 (MC3R)


(Homo sapiens (Human))
BDBM50191556
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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))
BDBM50191571
PNG
(CHEMBL212766 | N-((R)-1-((2S,4R)-2-(3-guanidinopro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C30H37N5O3/c1-21(36)34-28(17-22-8-3-2-4-9-22)29(37)35-19-27(18-26(35)12-7-15-33-30(31)32)38-20-23-13-14-24-10-5-6-11-25(24)16-23/h2-6,8-11,13-14,16,26-28H,7,12,15,17-20H2,1H3,(H,34,36)(H4,31,32,33)/t26-,27+,28+/m0/s1
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90n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191557
PNG
((S)-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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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97n/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))
BDBM50191560
PNG
((S)-2-acetamido-N1-((R)-1-((2S,4S)-2-(3-guanidinop...)
Show SMILES N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C32H41N7O4/c33-27(18-29(34)40)30(41)38-28(16-21-7-2-1-3-8-21)31(42)39-19-26(17-25(39)11-6-14-37-32(35)36)43-20-22-12-13-23-9-4-5-10-24(23)15-22/h1-5,7-10,12-13,15,25-28H,6,11,14,16-20,33H2,(H2,34,40)(H,38,41)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1
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103n/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 4


(Homo sapiens (Human))
BDBM50179459
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=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
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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50191569
PNG
((S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32-,33+/m0/s1
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117n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191566
PNG
(CHEMBL377778 | N-((R)-1-((2R,4R)-2-(2-guanidinoeth...)
Show SMILES NC(N)=NCCNC(=O)[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H43N7O4/c35-34(36)39-17-16-38-32(43)30-20-28(45-22-24-10-11-25-8-4-5-9-27(25)18-24)21-41(30)33(44)29(19-23-6-2-1-3-7-23)40-31(42)26-12-14-37-15-13-26/h1-11,18,26,28-30,37H,12-17,19-22H2,(H,38,43)(H,40,42)(H4,35,36,39)/t28-,29-,30-/m1/s1
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121n/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 4


(Homo sapiens (Human))
BDBM50191561
PNG
((S)-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29-,30?,31+/m0/s1
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121n/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))
BDBM50191561
PNG
((S)-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29-,30?,31+/m0/s1
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125n/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 4


(Homo sapiens (Human))
BDBM50191558
PNG
(CHEMBL212976 | N-((R)-1-((2S,4R)-2-(3-guanidinopro...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C37H43N5O3/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40)/t32-,33+,34+/m0/s1
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137n/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))
BDBM50191552
PNG
((S)-2-acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34-,35-,36+/m0/s1
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138n/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 (MC3R)


(Homo sapiens (Human))
BDBM50191573
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O4/c1-27(46)43-35(22-28-11-4-2-5-12-28)37(47)44-36(23-29-13-6-3-7-14-29)38(48)45-25-34(24-33(45)17-10-20-42-39(40)41)49-26-30-18-19-31-15-8-9-16-32(31)21-30/h2-9,11-16,18-19,21,33-36H,10,17,20,22-26H2,1H3,(H,43,46)(H,44,47)(H4,40,41,42)/t33-,34+,35-,36+/m0/s1
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154n/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 3 (MC3R)


(Homo sapiens (Human))
BDBM50191576
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29+,30-,31+/m0/s1
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156n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191573
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O4/c1-27(46)43-35(22-28-11-4-2-5-12-28)37(47)44-36(23-29-13-6-3-7-14-29)38(48)45-25-34(24-33(45)17-10-20-42-39(40)41)49-26-30-18-19-31-15-8-9-16-32(31)21-30/h2-9,11-16,18-19,21,33-36H,10,17,20,22-26H2,1H3,(H,43,46)(H,44,47)(H4,40,41,42)/t33-,34+,35-,36+/m0/s1
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182n/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 4


(Homo sapiens (Human))
BDBM50191560
PNG
((S)-2-acetamido-N1-((R)-1-((2S,4S)-2-(3-guanidinop...)
Show SMILES N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C32H41N7O4/c33-27(18-29(34)40)30(41)38-28(16-21-7-2-1-3-8-21)31(42)39-19-26(17-25(39)11-6-14-37-32(35)36)43-20-22-12-13-23-9-4-5-10-24(23)15-22/h1-5,7-10,12-13,15,25-28H,6,11,14,16-20,33H2,(H2,34,40)(H,38,41)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1
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187n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50191578
PNG
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H42N6O3/c34-33(35)37-17-6-12-27-20-28(42-22-24-14-15-25-10-4-5-11-26(25)18-24)21-39(27)32(41)30(19-23-8-2-1-3-9-23)38-31(40)29-13-7-16-36-29/h1-5,8-11,14-15,18,27-30,36H,6-7,12-13,16-17,19-22H2,(H,38,40)(H4,34,35,37)/t27-,28+,29-,30+/m0/s1
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219n/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))
BDBM50034910
PNG
((S)-2-{(S)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)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/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28-,29-/m0/s1
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246n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191552
PNG
((S)-2-acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34-,35-,36+/m0/s1
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248n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50191571
PNG
(CHEMBL212766 | N-((R)-1-((2S,4R)-2-(3-guanidinopro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C30H37N5O3/c1-21(36)34-28(17-22-8-3-2-4-9-22)29(37)35-19-27(18-26(35)12-7-15-33-30(31)32)38-20-23-13-14-24-10-5-6-11-25(24)16-23/h2-6,8-11,13-14,16,26-28H,7,12,15,17-20H2,1H3,(H,34,36)(H4,31,32,33)/t26-,27+,28+/m0/s1
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289n/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))
BDBM50191559
PNG
(1-(3-((2S,4R)-1-((R)-2-amino-3-phenylpropanoyl)-4-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O2/c29-26(16-20-7-2-1-3-8-20)27(34)33-18-25(17-24(33)11-6-14-32-28(30)31)35-19-21-12-13-22-9-4-5-10-23(22)15-21/h1-5,7-10,12-13,15,24-26H,6,11,14,16-19,29H2,(H4,30,31,32)/t24-,25+,26+/m0/s1
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305n/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))
BDBM50191574
PNG
((S)-N-((R)-1-((2R,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29-,30?,31-/m1/s1
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340n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50191559
PNG
(1-(3-((2S,4R)-1-((R)-2-amino-3-phenylpropanoyl)-4-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O2/c29-26(16-20-7-2-1-3-8-20)27(34)33-18-25(17-24(33)11-6-14-32-28(30)31)35-19-21-12-13-22-9-4-5-10-23(22)15-21/h1-5,7-10,12-13,15,24-26H,6,11,14,16-19,29H2,(H4,30,31,32)/t24-,25+,26+/m0/s1
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381n/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 (MC3R)


(Homo sapiens (Human))
BDBM50191558
PNG
(CHEMBL212976 | N-((R)-1-((2S,4R)-2-(3-guanidinopro...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C37H43N5O3/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40)/t32-,33+,34+/m0/s1
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403n/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))
BDBM50191555
PNG
((S)-N-((R)-1-((2R,4R)-2-(2-guanidinoethylcarbamoyl...)
Show SMILES NC(N)=NCCNC(=O)[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C38H43N7O4/c39-38(40)42-17-16-41-36(47)34-21-31(49-24-26-14-15-27-10-4-5-11-28(27)18-26)23-45(34)37(48)33(19-25-8-2-1-3-9-25)44-35(46)32-20-29-12-6-7-13-30(29)22-43-32/h1-15,18,31-34,43H,16-17,19-24H2,(H,41,47)(H,44,46)(H4,39,40,42)/t31-,32+,33-,34-/m1/s1
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411n/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
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