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PubMed code 19635667

Compile data set for download or QSAR
Found 110 hits of Enzyme Inhibition Constant Data   
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 1


(Mus musculus)
BDBM50301133
PNG
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301145
PNG
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.79E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301134
PNG
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 5.89E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301134
PNG
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301152
PNG
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.01E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301129
PNG
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 6.39E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301130
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1
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n/an/an/an/a 6.78E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301151
PNG
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 6.83E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301152
PNG
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 6.23E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
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n/an/an/an/a 0.170n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50301155
PNG
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1
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n/an/an/an/a 0.0100n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against human MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50301156
PNG
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against human MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301130
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1
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n/an/an/an/a 310n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301132
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,14,17-18,23-25,40H,5,10-13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301139
PNG
(CHEMBL566760 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O
Show InChI InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 620n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301141
PNG
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O
Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 7.28E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301143
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(pyrid...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O
Show InChI InChI=1S/C29H38N10O4/c30-26(41)22(9-5-13-35-29(31)32)38-27(42)23(14-19-6-2-1-3-7-19)39-28(43)24(15-21-17-34-18-36-21)37-25(40)11-10-20-8-4-12-33-16-20/h1-4,6-8,12,16-18,22-24H,5,9-11,13-15H2,(H2,30,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,31,32,35)/t22-,23-,24+/m1/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 mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301148
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1
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n/an/an/an/a 990n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301151
PNG
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 500n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301148
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1
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n/an/an/an/a 2.41E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301135
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.81E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301140
PNG
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 2.36E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301141
PNG
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O
Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 2.55E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301144
PNG
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1
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n/an/an/an/a 3.87E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301149
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.28E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301150
PNG
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O
Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.24E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301155
PNG
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301137
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 3.41E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301139
PNG
(CHEMBL566760 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O
Show InChI InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 4.76E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 10.2n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301128
PNG
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 3.66E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301136
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-9,11-12,17-18,23-25,40H,4,7,10,13-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.16E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301140
PNG
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 567n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301144
PNG
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301147
PNG
((S)-2-((R)-2-((S)-2-(2-acetamido-3-phenylacrylamid...)
Show SMILES CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C32H40N10O5/c1-20(43)39-25(15-21-9-4-2-5-10-21)29(45)42-27(17-23-18-36-19-38-23)31(47)41-26(16-22-11-6-3-7-12-22)30(46)40-24(28(33)44)13-8-14-37-32(34)35/h2-7,9-12,15,18-19,24,26-27H,8,13-14,16-17H2,1H3,(H2,33,44)(H,36,38)(H,39,43)(H,40,46)(H,41,47)(H,42,45)(H4,34,35,37)/t24-,26-,27+/m1/s1
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n/an/an/an/a 8.20E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301153
PNG
(CHEMBL569222 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H43N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-3,7-8,12-13,16,18-19,24-26H,4-6,9-11,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 530n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301135
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.05E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301156
PNG
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.51E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301130
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1
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n/an/an/an/a 3.70E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301133
PNG
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1
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n/an/an/an/a 1.72E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301151
PNG
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 4.71E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301136
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-9,11-12,17-18,23-25,40H,4,7,10,13-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301156
PNG
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 940n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301131
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 274n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301134
PNG
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301137
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 420n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301138
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-nit...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C30H36N10O6/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(12-9-19)40(45)46/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 780n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301155
PNG
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301133
PNG
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1
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n/an/an/an/a 7.38E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301126
PNG
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.47E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301128
PNG
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 6.04E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301129
PNG
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 4.01E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301131
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.27E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301128
PNG
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.84E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301148
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/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 mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301154
PNG
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1
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n/an/an/an/a 2.36E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 19.3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301155
PNG
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301129
PNG
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 660n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301150
PNG
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O
Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301154
PNG
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1
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n/an/an/an/a 3.03E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301153
PNG
(CHEMBL569222 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H43N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-3,7-8,12-13,16,18-19,24-26H,4-6,9-11,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 2.59E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301137
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)
Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.15E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301147
PNG
((S)-2-((R)-2-((S)-2-(2-acetamido-3-phenylacrylamid...)
Show SMILES CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C32H40N10O5/c1-20(43)39-25(15-21-9-4-2-5-10-21)29(45)42-27(17-23-18-36-19-38-23)31(47)41-26(16-22-11-6-3-7-12-22)30(46)40-24(28(33)44)13-8-14-37-32(34)35/h2-7,9-12,15,18-19,24,26-27H,8,13-14,16-17H2,1H3,(H2,33,44)(H,36,38)(H,39,43)(H,40,46)(H,41,47)(H,42,45)(H4,34,35,37)/t24-,26-,27+/m1/s1
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n/an/an/an/a 2.03E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301134
PNG
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301141
PNG
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O
Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301125
PNG
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301142
PNG
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301146
PNG
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O
Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1
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n/an/an/an/a 2.06E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301129
PNG
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 3.38E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301127
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)
Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.37E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301131
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.77E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301133
PNG
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1
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n/an/an/an/a 2.28E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301140
PNG
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/an/an/a 6.19E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301145
PNG
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.93E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301146
PNG
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O
Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1
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n/an/an/an/a 8.50E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301150
PNG
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O
Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301126
PNG
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.16E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301156
PNG
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 4.37E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301126
PNG
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.81E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301130
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1
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n/an/an/an/a 3.03E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301151
PNG
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1
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n/an/an/an/a 1.68E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50301152
PNG
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.95E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301155
PNG
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1
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n/an/an/an/a 0.540n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301145
PNG
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.92E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301125
PNG
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 3.02E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301126
PNG
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O
Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 6.86E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301127
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)
Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.29E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301132
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O
Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,14,17-18,23-25,40H,5,10-13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 9.60E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301135
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 935n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301138
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-nit...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C30H36N10O6/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(12-9-19)40(45)46/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 6.64E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301142
PNG
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.76E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301143
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(pyrid...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O
Show InChI InChI=1S/C29H38N10O4/c30-26(41)22(9-5-13-35-29(31)32)38-27(42)23(14-19-6-2-1-3-7-19)39-28(43)24(15-21-17-34-18-36-21)37-25(40)11-10-20-8-4-12-33-16-20/h1-4,6-8,12,16-18,22-24H,5,9-11,13-15H2,(H2,30,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,31,32,35)/t22-,23-,24+/m1/s1
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n/an/an/an/a 1.81E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 6.72n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
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n/an/an/an/a 0.0140n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301127
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)
Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301135
PNG
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 83.3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301149
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.75E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50301152
PNG
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1
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n/an/an/an/a 780n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC1R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301125
PNG
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/an/an/a 5.30E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301142
PNG
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1
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n/an/an/an/a 2.35E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301146
PNG
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O
Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1
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n/an/an/an/a 4.28E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301148
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1
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n/an/an/an/a 5.02E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50301154
PNG
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1
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n/an/an/an/a 3.10E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC4R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301156
PNG
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1
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n/an/an/an/a 1.18E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301144
PNG
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1
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n/an/an/an/a 7.03E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50301149
PNG
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1
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n/an/an/an/a 1.66E+4n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC5R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
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n/an/an/an/a 0.0900n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonistic activity against mouse MC3R


Bioorg Med Chem Lett 19: 5176-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%