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Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with all data for entry = 50035316   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131251
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[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](CCCN=C(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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0.5n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[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](CCCN=C(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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0.680n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[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](CCCN=C(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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0.950n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131258
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenyl)-acetylami...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O5/c41-27-14-12-25(13-15-27)18-35(53)49-34(20-28-22-45-23-48-28)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)19-26-21-47-30-10-5-4-9-29(26)30/h1-5,7-10,12-15,21-23,31-34,47H,6,11,16-20H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131258
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenyl)-acetylami...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O5/c41-27-14-12-25(13-15-27)18-35(53)49-34(20-28-22-45-23-48-28)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)19-26-21-47-30-10-5-4-9-29(26)30/h1-5,7-10,12-15,21-23,31-34,47H,6,11,16-20H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131245
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenoxy)-acetylam...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O6/c41-26-12-14-28(15-13-26)58-22-35(53)49-34(19-27-21-45-23-48-27)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)18-25-20-47-30-10-5-4-9-29(25)30/h1-5,7-10,12-15,20-21,23,31-34,47H,6,11,16-19,22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131247
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O5/c42-37(54)33(21-28-23-47-31-15-8-7-14-30(28)31)51-38(55)32(16-9-19-46-41(43)44)50-39(56)34(20-27-12-5-2-6-13-27)52-40(57)35(22-29-24-45-25-48-29)49-36(53)18-17-26-10-3-1-4-11-26/h1-8,10-15,23-25,32-35,47H,9,16-22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t32-,33-,34-,35-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131251
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131260
PNG
((D)-(S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-3-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O6/c42-36(54)32(20-27-22-47-30-15-8-7-14-29(27)30)50-37(55)31(16-9-17-46-41(43)44)49-38(56)33(18-25-10-3-1-4-11-25)51-39(57)34(21-28-23-45-24-48-28)52-40(58)35(53)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-35,47,53H,9,16-21H2,(H2,42,54)(H,45,48)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,43,44,46)/t31-,32-,33-,34-,35?/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50131251
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131260
PNG
((D)-(S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-3-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O6/c42-36(54)32(20-27-22-47-30-15-8-7-14-29(27)30)50-37(55)31(16-9-17-46-41(43)44)49-38(56)33(18-25-10-3-1-4-11-25)51-39(57)34(21-28-23-45-24-48-28)52-40(58)35(53)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-35,47,53H,9,16-21H2,(H2,42,54)(H,45,48)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,43,44,46)/t31-,32-,33-,34-,35?/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131257
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H47N11O5/c41-36(53)32(20-27-22-46-30-15-8-7-14-29(27)30)50-37(54)31(16-9-17-45-40(42)43)49-38(55)33(18-25-10-3-1-4-11-25)51-39(56)34(21-28-23-44-24-47-28)48-35(52)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-34,46H,9,16-21H2,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33-,34-/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50131258
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenyl)-acetylami...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O5/c41-27-14-12-25(13-15-27)18-35(53)49-34(20-28-22-45-23-48-28)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)19-26-21-47-30-10-5-4-9-29(26)30/h1-5,7-10,12-15,21-23,31-34,47H,6,11,16-20H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131253
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H49N11O5/c1-2-3-15-32(49)45-31(19-25-21-41-22-44-25)36(53)48-30(17-23-10-5-4-6-11-23)35(52)46-28(14-9-16-42-37(39)40)34(51)47-29(33(38)50)18-24-20-43-27-13-8-7-12-26(24)27/h4-8,10-13,20-22,28-31,43H,2-3,9,14-19H2,1H3,(H2,38,50)(H,41,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,39,40,42)/t28-,29-,30-,31-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131243
PNG
(CHEMBL316259 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H45N11O5/c40-34(51)31(19-26-21-45-29-15-8-7-14-28(26)29)48-36(53)30(16-9-17-44-39(41)42)47-37(54)32(18-24-10-3-1-4-11-24)50-38(55)33(20-27-22-43-23-46-27)49-35(52)25-12-5-2-6-13-25/h1-8,10-15,21-23,30-33,45H,9,16-20H2,(H2,40,51)(H,43,46)(H,47,54)(H,48,53)(H,49,52)(H,50,55)(H4,41,42,44)/t30-,31-,32-,33-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131244
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-2-(4-hydroxy-butyryl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H47N11O6/c37-32(50)28(17-23-19-42-26-11-5-4-10-25(23)26)46-33(51)27(12-6-14-41-36(38)39)45-34(52)29(16-22-8-2-1-3-9-22)47-35(53)30(18-24-20-40-21-43-24)44-31(49)13-7-15-48/h1-5,8-11,19-21,27-30,42,48H,6-7,12-18H2,(H2,37,50)(H,40,43)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50034910
PNG
((S)-2-{(S)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28-,29-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131238
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H47N11O5/c1-2-9-31(48)44-30(18-24-20-40-21-43-24)35(52)47-29(16-22-10-4-3-5-11-22)34(51)45-27(14-8-15-41-36(38)39)33(50)46-28(32(37)49)17-23-19-42-26-13-7-6-12-25(23)26/h3-7,10-13,19-21,27-30,42H,2,8-9,14-18H2,1H3,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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38n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131240
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CC(C)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(N)=O
Show InChI InChI=1S/C36H47N11O5/c1-21(2)32(49)46-30(17-24-19-40-20-43-24)35(52)47-29(15-22-9-4-3-5-10-22)34(51)44-27(13-8-14-41-36(38)39)33(50)45-28(31(37)48)16-23-18-42-26-12-7-6-11-25(23)26/h3-7,9-12,18-21,27-30,42H,8,13-17H2,1-2H3,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131250
PNG
((S)-2-{(S)-2-[(S)-2-(2,2-Dimethyl-propionylamino)-...)
Show SMILES CC(C)(C)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(N)=O
Show InChI InChI=1S/C37H49N11O5/c1-37(2,3)35(53)48-30(18-24-20-41-21-44-24)34(52)47-29(16-22-10-5-4-6-11-22)33(51)45-27(14-9-15-42-36(39)40)32(50)46-28(31(38)49)17-23-19-43-26-13-8-7-12-25(23)26/h4-8,10-13,19-21,27-30,43H,9,14-18H2,1-3H3,(H2,38,49)(H,41,44)(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,39,40,42)/t27-,28-,29-,30-/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131242
PNG
(CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131248
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5/c1-2-30(47)43-29(17-23-19-39-20-42-23)34(51)46-28(15-21-9-4-3-5-10-21)33(50)44-26(13-8-14-40-35(37)38)32(49)45-27(31(36)48)16-22-18-41-25-12-7-6-11-24(22)25/h3-7,9-12,18-20,26-29,41H,2,8,13-17H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28-,29-/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131247
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O5/c42-37(54)33(21-28-23-47-31-15-8-7-14-30(28)31)51-38(55)32(16-9-19-46-41(43)44)50-39(56)34(20-27-12-5-2-6-13-27)52-40(57)35(22-29-24-45-25-48-29)49-36(53)18-17-26-10-3-1-4-11-26/h1-8,10-15,23-25,32-35,47H,9,16-22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t32-,33-,34-,35-/m0/s1
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49n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131239
PNG
(2-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-propion...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27-/m0/s1
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51n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131252
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5S/c1-52-19-30(47)43-29(16-23-18-39-20-42-23)34(51)46-28(14-21-8-3-2-4-9-21)33(50)44-26(12-7-13-40-35(37)38)32(49)45-27(31(36)48)15-22-17-41-25-11-6-5-10-24(22)25/h2-6,8-11,17-18,20,26-29,41H,7,12-16,19H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28-,29-/m0/s1
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58n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131259
PNG
(CHEMBL328117 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H42N12O6/c35-28(47)25(14-20-16-41-23-10-5-4-9-22(20)23)44-30(49)24(11-6-12-40-34(37)38)43-31(50)26(13-19-7-2-1-3-8-19)45-32(51)27(46-33(52)29(36)48)15-21-17-39-18-42-21/h1-5,7-10,16-18,24-27,41H,6,11-15H2,(H2,35,47)(H2,36,48)(H,39,42)(H,43,50)(H,44,49)(H,45,51)(H,46,52)(H4,37,38,40)/t24-,25-,26-,27-/m0/s1
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62n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131256
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H42F3N11O5/c36-35(37,38)16-29(50)46-28(15-22-18-42-19-45-22)33(54)49-27(13-20-7-2-1-3-8-20)32(53)47-25(11-6-12-43-34(40)41)31(52)48-26(30(39)51)14-21-17-44-24-10-5-4-9-23(21)24/h1-5,7-10,17-19,25-28,44H,6,11-16H2,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t25-,26-,27-,28-/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50131247
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O5/c42-37(54)33(21-28-23-47-31-15-8-7-14-30(28)31)51-38(55)32(16-9-19-46-41(43)44)50-39(56)34(20-27-12-5-2-6-13-27)52-40(57)35(22-29-24-45-25-48-29)49-36(53)18-17-26-10-3-1-4-11-26/h1-8,10-15,23-25,32-35,47H,9,16-22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t32-,33-,34-,35-/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131246
PNG
((S)-2-{(S)-2-[(S)-2-(4-Chloro-benzenesulfonylamino...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H44ClN11O6S/c39-25-12-14-27(15-13-25)57(55,56)50-33(19-26-21-43-22-46-26)37(54)49-32(17-23-7-2-1-3-8-23)36(53)47-30(11-6-16-44-38(41)42)35(52)48-31(34(40)51)18-24-20-45-29-10-5-4-9-28(24)29/h1-5,7-10,12-15,20-22,30-33,45,50H,6,11,16-19H2,(H2,40,51)(H,43,46)(H,47,53)(H,48,52)(H,49,54)(H4,41,42,44)/t30-,31-,32-,33-/m0/s1
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67n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50131257
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H47N11O5/c41-36(53)32(20-27-22-46-30-15-8-7-14-29(27)30)50-37(54)31(16-9-17-45-40(42)43)49-38(55)33(18-25-10-3-1-4-11-25)51-39(56)34(21-28-23-44-24-47-28)48-35(52)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-34,46H,9,16-21H2,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33-,34-/m0/s1
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67n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131245
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenoxy)-acetylam...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O6/c41-26-12-14-28(15-13-26)58-22-35(53)49-34(19-27-21-45-23-48-27)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)18-25-20-47-30-10-5-4-9-29(25)30/h1-5,7-10,12-15,20-21,23,31-34,47H,6,11,16-19,22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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68n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131242
PNG
(CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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87n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131241
PNG
((S)-2-{(S)-2-[(S)-2-(2-Cyano-acetylamino)-3-(3H-im...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H42N12O5/c36-13-12-30(48)44-29(17-23-19-40-20-43-23)34(52)47-28(15-21-7-2-1-3-8-21)33(51)45-26(11-6-14-41-35(38)39)32(50)46-27(31(37)49)16-22-18-42-25-10-5-4-9-24(22)25/h1-5,7-10,18-20,26-29,42H,6,11-12,14-17H2,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t26-,27-,28-,29-/m0/s1
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87n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131254
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O6/c1-52-19-30(47)43-29(16-23-18-39-20-42-23)34(51)46-28(14-21-8-3-2-4-9-21)33(50)44-26(12-7-13-40-35(37)38)32(49)45-27(31(36)48)15-22-17-41-25-11-6-5-10-24(22)25/h2-6,8-11,17-18,20,26-29,41H,7,12-16,19H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28-,29-/m0/s1
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92n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131240
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CC(C)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(N)=O
Show InChI InChI=1S/C36H47N11O5/c1-21(2)32(49)46-30(17-24-19-40-20-43-24)35(52)47-29(15-22-9-4-3-5-10-22)34(51)44-27(13-8-14-41-36(38)39)33(50)45-28(31(37)48)16-23-18-42-26-12-7-6-11-25(23)26/h3-7,9-12,18-21,27-30,42H,8,13-17H2,1-2H3,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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98n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131244
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-2-(4-hydroxy-butyryl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H47N11O6/c37-32(50)28(17-23-19-42-26-11-5-4-10-25(23)26)46-33(51)27(12-6-14-41-36(38)39)45-34(52)29(16-22-8-2-1-3-9-22)47-35(53)30(18-24-20-40-21-43-24)44-31(49)13-7-15-48/h1-5,8-11,19-21,27-30,42,48H,6-7,12-18H2,(H2,37,50)(H,40,43)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131257
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H47N11O5/c41-36(53)32(20-27-22-46-30-15-8-7-14-29(27)30)50-37(54)31(16-9-17-45-40(42)43)49-38(55)33(18-25-10-3-1-4-11-25)51-39(56)34(21-28-23-44-24-47-28)48-35(52)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-34,46H,9,16-21H2,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33-,34-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131241
PNG
((S)-2-{(S)-2-[(S)-2-(2-Cyano-acetylamino)-3-(3H-im...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H42N12O5/c36-13-12-30(48)44-29(17-23-19-40-20-43-23)34(52)47-28(15-21-7-2-1-3-8-21)33(51)45-26(11-6-14-41-35(38)39)32(50)46-27(31(37)49)16-22-18-42-25-10-5-4-9-24(22)25/h1-5,7-10,18-20,26-29,42H,6,11-12,14-17H2,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t26-,27-,28-,29-/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50131245
PNG
((S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenoxy)-acetylam...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C40H46ClN11O6/c41-26-12-14-28(15-13-26)58-22-35(53)49-34(19-27-21-45-23-48-27)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)18-25-20-47-30-10-5-4-9-29(25)30/h1-5,7-10,12-15,20-21,23,31-34,47H,6,11,16-19,22H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131253
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H49N11O5/c1-2-3-15-32(49)45-31(19-25-21-41-22-44-25)36(53)48-30(17-23-10-5-4-6-11-23)35(52)46-28(14-9-16-42-37(39)40)34(51)47-29(33(38)50)18-24-20-43-27-13-8-7-12-26(24)27/h4-8,10-13,20-22,28-31,43H,2-3,9,14-19H2,1H3,(H2,38,50)(H,41,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,39,40,42)/t28-,29-,30-,31-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131255
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1
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125n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50131250
PNG
((S)-2-{(S)-2-[(S)-2-(2,2-Dimethyl-propionylamino)-...)
Show SMILES CC(C)(C)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(N)=O
Show InChI InChI=1S/C37H49N11O5/c1-37(2,3)35(53)48-30(18-24-20-41-21-44-24)34(52)47-29(16-22-10-5-4-6-11-22)33(51)45-27(14-9-15-42-36(39)40)32(50)46-28(31(38)49)17-23-19-43-26-13-8-7-12-25(23)26/h4-8,10-13,19-21,27-30,43H,9,14-18H2,1-3H3,(H2,38,49)(H,41,44)(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,39,40,42)/t27-,28-,29-,30-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50131260
PNG
((D)-(S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-3-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H49N11O6/c42-36(54)32(20-27-22-47-30-15-8-7-14-29(27)30)50-37(55)31(16-9-17-46-41(43)44)49-38(56)33(18-25-10-3-1-4-11-25)51-39(57)34(21-28-23-45-24-48-28)52-40(58)35(53)19-26-12-5-2-6-13-26/h1-8,10-15,22-24,31-35,47,53H,9,16-21H2,(H2,42,54)(H,45,48)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,43,44,46)/t31-,32-,33-,34-,35?/m0/s1
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140n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131259
PNG
(CHEMBL328117 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H42N12O6/c35-28(47)25(14-20-16-41-23-10-5-4-9-22(20)23)44-30(49)24(11-6-12-40-34(37)38)43-31(50)26(13-19-7-2-1-3-8-19)45-32(51)27(46-33(52)29(36)48)15-21-17-39-18-42-21/h1-5,7-10,16-18,24-27,41H,6,11-15H2,(H2,35,47)(H2,36,48)(H,39,42)(H,43,50)(H,44,49)(H,45,51)(H,46,52)(H4,37,38,40)/t24-,25-,26-,27-/m0/s1
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140n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131238
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H47N11O5/c1-2-9-31(48)44-30(18-24-20-40-21-43-24)35(52)47-29(16-22-10-4-3-5-11-22)34(51)45-27(14-8-15-41-36(38)39)33(50)46-28(32(37)49)17-23-19-42-26-13-7-6-12-25(23)26/h3-7,10-13,19-21,27-30,42H,2,8-9,14-18H2,1H3,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50131259
PNG
(CHEMBL328117 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H42N12O6/c35-28(47)25(14-20-16-41-23-10-5-4-9-22(20)23)44-30(49)24(11-6-12-40-34(37)38)43-31(50)26(13-19-7-2-1-3-8-19)45-32(51)27(46-33(52)29(36)48)15-21-17-39-18-42-21/h1-5,7-10,16-18,24-27,41H,6,11-15H2,(H2,35,47)(H2,36,48)(H,39,42)(H,43,50)(H,44,49)(H,45,51)(H,46,52)(H4,37,38,40)/t24-,25-,26-,27-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131250
PNG
((S)-2-{(S)-2-[(S)-2-(2,2-Dimethyl-propionylamino)-...)
Show SMILES CC(C)(C)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(N)=O
Show InChI InChI=1S/C37H49N11O5/c1-37(2,3)35(53)48-30(18-24-20-41-21-44-24)34(52)47-29(16-22-10-5-4-6-11-22)33(51)45-27(14-9-15-42-36(39)40)32(50)46-28(31(38)49)17-23-19-43-26-13-8-7-12-25(23)26/h4-8,10-13,19-21,27-30,43H,9,14-18H2,1-3H3,(H2,38,49)(H,41,44)(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,39,40,42)/t27-,28-,29-,30-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50131248
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5/c1-2-30(47)43-29(17-23-19-39-20-42-23)34(51)46-28(15-21-9-4-3-5-10-21)33(50)44-26(13-8-14-40-35(37)38)32(49)45-27(31(36)48)16-22-18-41-25-12-7-6-11-24(22)25/h3-7,9-12,18-20,26-29,41H,2,8,13-17H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28-,29-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50131243
PNG
(CHEMBL316259 | N-[(S)-1-((S)-1-{(S)-1-[(S)-1-Carba...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H45N11O5/c40-34(51)31(19-26-21-45-29-15-8-7-14-28(26)29)48-36(53)30(16-9-17-44-39(41)42)47-37(54)32(18-24-10-3-1-4-11-24)50-38(55)33(20-27-22-43-23-46-27)49-35(52)25-12-5-2-6-13-25/h1-8,10-15,21-23,30-33,45H,9,16-20H2,(H2,40,51)(H,43,46)(H,47,54)(H,48,53)(H,49,52)(H,50,55)(H4,41,42,44)/t30-,31-,32-,33-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor (hMC4R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
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