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Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with all data for entry = 50015154   
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 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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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
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50152257
PNG
(CHEMBL184326 | [1-((S)-(S)-1-{1-[(S)-(S)-1-Carbamo...)
Show SMILES COP(=S)(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)OC
Show InChI InChI=1S/C37H47ClN9O6PS/c1-52-54(55,53-2)47-32(20-24-14-16-26(38)17-15-24)36(51)46-31(19-23-9-4-3-5-10-23)35(50)44-29(13-8-18-42-37(40)41)34(49)45-30(33(39)48)21-25-22-43-28-12-7-6-11-27(25)28/h3-7,9-12,14-17,22,29-32,43H,8,13,18-21H2,1-2H3,(H2,39,48)(H,44,50)(H,45,49)(H,46,51)(H,47,55)(H4,40,41,42)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 1.60E+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))		BDBM50152273
PNG
(CHEMBL181494 | 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)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H46ClN9O5/c43-30-19-17-27(18-20-30)23-35(51-38(54)28-12-5-2-6-13-28)41(57)52-36(22-26-10-3-1-4-11-26)40(56)49-33(16-9-21-47-42(45)46)39(55)50-34(37(44)53)24-29-25-48-32-15-8-7-14-31(29)32/h1-8,10-15,17-20,25,33-36,48H,9,16,21-24H2,(H2,44,53)(H,49,56)(H,50,55)(H,51,54)(H,52,57)(H4,45,46,47)/t33-,34-,35-,36-/m0/s1
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n/an/an/an/a 556n/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))		BDBM50152247
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-1-oxo-2-(3-pheny...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H47ClN10O5/c43-29-19-17-27(18-20-29)23-36(53-42(58)49-30-12-5-2-6-13-30)40(57)52-35(22-26-10-3-1-4-11-26)39(56)50-33(16-9-21-47-41(45)46)38(55)51-34(37(44)54)24-28-25-48-32-15-8-7-14-31(28)32/h1-8,10-15,17-20,25,33-36,48H,9,16,21-24H2,(H2,44,54)(H,50,56)(H,51,55)(H,52,57)(H4,45,46,47)(H2,49,53,58)/t33-,34-,35-,36-/m0/s1
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n/an/an/an/a 93n/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))		BDBM50152285
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-isobutyryl...)
Show SMILES CC(C)C(=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/c1-23(2)35(51)48-32(20-25-14-16-27(40)17-15-25)38(54)49-33(19-24-9-4-3-5-10-24)37(53)46-30(13-8-18-44-39(42)43)36(52)47-31(34(41)50)21-26-22-45-29-12-7-6-11-28(26)29/h3-7,9-12,14-17,22-23,30-33,45H,8,13,18-21H2,1-2H3,(H2,41,50)(H,46,53)(H,47,52)(H,48,51)(H,49,54)(H4,42,43,44)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 497n/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))		BDBM50152244
PNG
(CHEMBL361578 | Thiophene-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)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H44ClN9O5S/c41-27-16-14-25(15-17-27)21-33(50-39(55)34-13-7-19-56-34)38(54)49-32(20-24-8-2-1-3-9-24)37(53)47-30(12-6-18-45-40(43)44)36(52)48-31(35(42)51)22-26-23-46-29-11-5-4-10-28(26)29/h1-5,7-11,13-17,19,23,30-33,46H,6,12,18,20-22H2,(H2,42,51)(H,47,53)(H,48,52)(H,49,54)(H,50,55)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 644n/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))		BDBM50152245
PNG
(CHEMBL365825 | 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)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H41ClF5N9O5/c43-24-14-12-22(13-15-24)18-30(57-41(62)31-32(44)34(46)36(48)35(47)33(31)45)40(61)56-29(17-21-7-2-1-3-8-21)39(60)54-27(11-6-16-52-42(50)51)38(59)55-28(37(49)58)19-23-20-53-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,53H,6,11,16-19H2,(H2,49,58)(H,54,60)(H,55,59)(H,56,61)(H,57,62)(H4,50,51,52)/t27-,28-,29-,30-/m0/s1
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n/an/an/an/a 1.34E+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))		BDBM50152260
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2,2-dimethyl-...)
Show SMILES CC(C)(C)C(=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/C40H50ClN9O5/c1-40(2,3)38(55)50-33(21-25-15-17-27(41)18-16-25)37(54)49-32(20-24-10-5-4-6-11-24)36(53)47-30(14-9-19-45-39(43)44)35(52)48-31(34(42)51)22-26-23-46-29-13-8-7-12-28(26)29/h4-8,10-13,15-18,23,30-33,46H,9,14,19-22H2,1-3H3,(H2,42,51)(H,47,53)(H,48,52)(H,49,54)(H,50,55)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 145n/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))		BDBM50152277
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3,3,3-tri...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H43ClF3N9O5/c39-25-14-12-23(13-15-25)18-30(48-32(52)20-38(40,41)42)35(55)51-31(17-22-7-2-1-3-8-22)36(56)49-28(11-6-16-46-37(44)45)34(54)50-29(33(43)53)19-24-21-47-27-10-5-4-9-26(24)27/h1-5,7-10,12-15,21,28-31,47H,6,11,16-20H2,(H2,43,53)(H,48,52)(H,49,56)(H,50,54)(H,51,55)(H4,44,45,46)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 886n/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))		BDBM50152264
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3-methyl-...)
Show SMILES CNC(=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/C37H45ClN10O5/c1-42-37(53)48-31(19-23-13-15-25(38)16-14-23)35(52)47-30(18-22-8-3-2-4-9-22)34(51)45-28(12-7-17-43-36(40)41)33(50)46-29(32(39)49)20-24-21-44-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,44H,7,12,17-20H2,1H3,(H2,39,49)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,43)(H2,42,48,53)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 87n/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))		BDBM50152253
PNG
(CHEMBL359702 | Cyclopropanecarboxylic acid [1-((S)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H46ClN9O5/c40-27-16-12-24(13-17-27)20-32(48-35(51)25-14-15-25)38(54)49-33(19-23-7-2-1-3-8-23)37(53)46-30(11-6-18-44-39(42)43)36(52)47-31(34(41)50)21-26-22-45-29-10-5-4-9-28(26)29/h1-5,7-10,12-13,16-17,22,25,30-33,45H,6,11,14-15,18-21H2,(H2,41,50)(H,46,53)(H,47,52)(H,48,51)(H,49,54)(H4,42,43,44)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 473n/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))		BDBM50152283
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3,3-dimet...)
Show SMILES CN(C)C(=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/C38H47ClN10O5/c1-49(2)38(54)48-32(20-24-14-16-26(39)17-15-24)36(53)47-31(19-23-9-4-3-5-10-23)35(52)45-29(13-8-18-43-37(41)42)34(51)46-30(33(40)50)21-25-22-44-28-12-7-6-11-27(25)28/h3-7,9-12,14-17,22,29-32,44H,8,13,18-21H2,1-2H3,(H2,40,50)(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 175n/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))		BDBM50152286
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-pentanoyla...)
Show SMILES CCCCC(=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/C40H50ClN9O5/c1-2-3-15-35(51)47-33(22-26-16-18-28(41)19-17-26)38(54)50-34(21-25-10-5-4-6-11-25)39(55)48-31(14-9-20-45-40(43)44)37(53)49-32(36(42)52)23-27-24-46-30-13-8-7-12-29(27)30/h4-8,10-13,16-19,24,31-34,46H,2-3,9,14-15,20-23H2,1H3,(H2,42,52)(H,47,51)(H,48,55)(H,49,53)(H,50,54)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1
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n/an/an/an/a 460n/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))		BDBM50152265
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-formyla...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H45ClN10O6/c39-26-14-12-24(13-15-26)18-31(46-33(51)21-43-22-50)36(54)49-32(17-23-7-2-1-3-8-23)37(55)47-29(11-6-16-44-38(41)42)35(53)48-30(34(40)52)19-25-20-45-28-10-5-4-9-27(25)28/h1-5,7-10,12-15,20,22,29-32,45H,6,11,16-19,21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,53)(H,49,54)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 757n/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))		BDBM50152259
PNG
(CHEMBL434357 | [(S)-1-((S)-1-{(S)-1-[(S)-1-Carbamo...)
Show SMILES COP(=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)OC
Show InChI InChI=1S/C37H47ClN9O7P/c1-53-55(52,54-2)47-32(20-24-14-16-26(38)17-15-24)36(51)46-31(19-23-9-4-3-5-10-23)35(50)44-29(13-8-18-42-37(40)41)34(49)45-30(33(39)48)21-25-22-43-28-12-7-6-11-27(25)28/h3-7,9-12,14-17,22,29-32,43H,8,13,18-21H2,1-2H3,(H2,39,48)(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,40,41,42)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 2.64E+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))		BDBM50152289
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-1-oxo-2-trifluor...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H41ClF3N9O6S/c37-24-14-12-22(13-15-24)18-30(49-56(54,55)36(38,39)40)34(53)48-29(17-21-7-2-1-3-8-21)33(52)46-27(11-6-16-44-35(42)43)32(51)47-28(31(41)50)19-23-20-45-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,45,49H,6,11,16-19H2,(H2,41,50)(H,46,52)(H,47,51)(H,48,53)(H4,42,43,44)/t27-,28-,29-,30-/m0/s1
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n/an/an/an/a 1.67E+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))		BDBM50152263
PNG
(2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-methylsulfa...)
Show SMILES CSCC(=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/C38H46ClN9O5S/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 1.02E+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))		BDBM50152248
PNG
(CHEMBL185869 | [(S)-1-((S)-1-{(S)-1-[(S)-1-Carbamo...)
Show SMILES CCOC(=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/c1-2-54-38(53)48-32(20-24-14-16-26(39)17-15-24)36(52)47-31(19-23-9-4-3-5-10-23)35(51)45-29(13-8-18-43-37(41)42)34(50)46-30(33(40)49)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,(H2,40,49)(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 3.08E+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))		BDBM50152274
PNG
(CHEMBL184968 | [1-((S)-(S)-1-{1-[(S)-(S)-1-Carbamo...)
Show SMILES CCC(=O)OC(=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/C39H46ClN9O7/c1-2-33(50)56-39(55)49-32(20-24-14-16-26(40)17-15-24)37(54)48-31(19-23-9-4-3-5-10-23)36(53)46-29(13-8-18-44-38(42)43)35(52)47-30(34(41)51)21-25-22-45-28-12-7-6-11-27(25)28/h3-7,9-12,14-17,22,29-32,45H,2,8,13,18-21H2,1H3,(H2,41,51)(H,46,53)(H,47,52)(H,48,54)(H,49,55)(H4,42,43,44)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 1.48E+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))		BDBM50152268
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(3H-imida...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)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/C43H52N12O6/c1-26(56)51-37(22-30-24-47-25-50-30)42(61)55-36(20-28-13-6-3-7-14-28)41(60)54-35(19-27-11-4-2-5-12-27)40(59)52-33(17-10-18-48-43(45)46)39(58)53-34(38(44)57)21-29-23-49-32-16-9-8-15-31(29)32/h2-9,11-16,23-25,33-37,49H,10,17-22H2,1H3,(H2,44,57)(H,47,50)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H,55,61)(H4,45,46,48)/t33-,34-,35-,36-,37-/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))		BDBM50152271
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His6-D-Phe7-Arg8-Trp9-Gly-L...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=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(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-6-43(4)65(98-74(115)60(40-101)96-71(112)56(33-46-23-25-49(103)26-24-46)93-73(114)59(39-100)88-44(5)102)76(117)91-53(27-28-63(105)106)69(110)95-58(35-48-37-83-41-87-48)72(113)92-55(32-45-16-8-7-9-17-45)70(111)90-52(21-14-30-84-78(81)82)68(109)94-57(34-47-36-85-51-19-11-10-18-50(47)51)67(108)86-38-62(104)89-54(20-12-13-29-79)77(118)99-31-15-22-61(99)75(116)97-64(42(2)3)66(80)107/h7-11,16-19,23-26,36-37,41-43,52-61,64-65,85,100-101,103H,6,12-15,20-22,27-35,38-40,79H2,1-5H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,111)(H,91,117)(H,92,113)(H,93,114)(H,94,109)(H,95,110)(H,96,112)(H,97,116)(H,98,115)(H,105,106)(H4,81,82,84)/t43-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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n/an/an/an/a 0.360n/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))		BDBM50152270
PNG
(5-Oxo-5-phenyl-pentanoic acid [(S)-1-[(S)-1-((S)-1...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C52H60N12O7/c53-47(67)41(28-36-30-58-39-21-11-10-20-38(36)39)62-48(68)40(22-13-25-57-52(54)55)61-49(69)42(26-33-14-4-1-5-15-33)63-50(70)43(27-34-16-6-2-7-17-34)64-51(71)44(29-37-31-56-32-59-37)60-46(66)24-12-23-45(65)35-18-8-3-9-19-35/h1-11,14-21,30-32,40-44,58H,12-13,22-29H2,(H2,53,67)(H,56,59)(H,60,66)(H,61,69)(H,62,68)(H,63,70)(H,64,71)(H4,54,55,57)/t40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 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))		BDBM50152246
PNG
((S)-5-Guanidino-2-((S)-2-{(S)-2-[(S)-3-(3H-imidazo...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C51H60N12O6/c52-46(65)41(28-36-30-57-39-22-11-10-21-38(36)39)61-47(66)40(23-13-25-56-51(53)54)60-48(67)42(26-34-16-6-2-7-17-34)62-49(68)43(27-35-18-8-3-9-19-35)63-50(69)44(29-37-31-55-32-58-37)59-45(64)24-12-20-33-14-4-1-5-15-33/h1-11,14-19,21-22,30-32,40-44,57H,12-13,20,23-29H2,(H2,52,65)(H,55,58)(H,59,64)(H,60,67)(H,61,66)(H,62,68)(H,63,69)(H4,53,54,56)/t40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 4.70n/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))		BDBM50152284
PNG
(2-{(S)-2-[(S)-2-Acetylamino-3-(4-chloro-phenyl)-1-...)
Show SMILES CC(=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/C37H44ClN9O5/c1-22(48)44-31(19-24-13-15-26(38)16-14-24)35(51)47-32(18-23-8-3-2-4-9-23)36(52)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)20-25-21-43-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,52)(H,46,50)(H,47,51)(H4,40,41,42)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 553n/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))		BDBM50152287
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(2-phenoxy...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H48ClN9O6/c44-30-19-17-28(18-20-30)23-36(50-38(54)26-59-31-12-5-2-6-13-31)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)24-29-25-49-33-15-8-7-14-32(29)33/h1-8,10-15,17-20,25,34-37,49H,9,16,21-24,26H2,(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 859n/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))		BDBM50152267
PNG
(2-((S)-2-{(S)-3-(4-Chloro-phenyl)-2-[4-(3,5-difluo...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H48ClF2N9O6/c46-30-14-12-27(13-15-30)20-37(54-40(59)17-16-39(58)28-21-31(47)24-32(48)22-28)43(62)57-38(19-26-7-2-1-3-8-26)44(63)55-35(11-6-18-52-45(50)51)42(61)56-36(41(49)60)23-29-25-53-34-10-5-4-9-33(29)34/h1-5,7-10,12-15,21-22,24-25,35-38,53H,6,11,16-20,23H2,(H2,49,60)(H,54,59)(H,55,63)(H,56,61)(H,57,62)(H4,50,51,52)/t35-,36-,37-,38-/m0/s1
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n/an/an/an/a 140n/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))		BDBM50152254
PNG
(CHEMBL361579 | Thiophene-3-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)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H44ClN9O5S/c41-28-14-12-25(13-15-28)20-33(49-36(52)26-16-18-56-23-26)39(55)50-34(19-24-7-2-1-3-8-24)38(54)47-31(11-6-17-45-40(43)44)37(53)48-32(35(42)51)21-27-22-46-30-10-5-4-9-29(27)30/h1-5,7-10,12-16,18,22-23,31-34,46H,6,11,17,19-21H2,(H2,42,51)(H,47,54)(H,48,53)(H,49,52)(H,50,55)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1
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n/an/an/an/a 674n/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 4


(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 12n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 4 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50152264
PNG
((S)-2-{(S)-2-[(S)-3-(4-Chloro-phenyl)-2-(3-methyl-...)
Show SMILES CNC(=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/C37H45ClN10O5/c1-42-37(53)48-31(19-23-13-15-25(38)16-14-23)35(52)47-30(18-22-8-3-2-4-9-22)34(51)45-28(12-7-17-43-36(40)41)33(50)46-29(32(39)49)20-24-21-44-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,44H,7,12,17-20H2,1H3,(H2,39,49)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,43)(H2,42,48,53)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 848n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 1 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50152271
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His6-D-Phe7-Arg8-Trp9-Gly-L...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=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(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-6-43(4)65(98-74(115)60(40-101)96-71(112)56(33-46-23-25-49(103)26-24-46)93-73(114)59(39-100)88-44(5)102)76(117)91-53(27-28-63(105)106)69(110)95-58(35-48-37-83-41-87-48)72(113)92-55(32-45-16-8-7-9-17-45)70(111)90-52(21-14-30-84-78(81)82)68(109)94-57(34-47-36-85-51-19-11-10-18-50(47)51)67(108)86-38-62(104)89-54(20-12-13-29-79)77(118)99-31-15-22-61(99)75(116)97-64(42(2)3)66(80)107/h7-11,16-19,23-26,36-37,41-43,52-61,64-65,85,100-101,103H,6,12-15,20-22,27-35,38-40,79H2,1-5H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,111)(H,91,117)(H,92,113)(H,93,114)(H,94,109)(H,95,110)(H,96,112)(H,97,116)(H,98,115)(H,105,106)(H4,81,82,84)/t43-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 1 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 4


(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 15n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against against human Melanocortin 4 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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