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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50013815   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134955
PNG
(CHEMBL2370968 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C78H104N20O15/c1-4-5-21-55(92-76(113)66(44(2)3)97-67(104)53(79)36-46-27-30-51(99)31-28-46)68(105)89-43-64(101)98-34-15-25-62(98)75(112)96-59(38-47-26-29-48-18-9-10-19-49(48)35-47)72(109)90-57(24-14-33-86-78(83)84)71(108)94-60(39-50-41-87-54-22-12-11-20-52(50)54)73(110)95-61(40-65(102)103)74(111)91-56(23-13-32-85-77(81)82)70(107)93-58(69(106)88-42-63(80)100)37-45-16-7-6-8-17-45/h6-12,16-20,22,26-31,35,41,44,53,55-62,66,87,99H,4-5,13-15,21,23-25,32-34,36-40,42-43,79H2,1-3H3,(H2,80,100)(H,88,106)(H,89,105)(H,90,109)(H,91,111)(H,92,113)(H,93,107)(H,94,108)(H,95,110)(H,96,112)(H,97,104)(H,102,103)(H4,81,82,85)(H4,83,84,86)/t53-,55-,56-,57-,58-,59?,60-,61-,62-,66-/m0/s1
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134955
PNG
(CHEMBL2370968 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C78H104N20O15/c1-4-5-21-55(92-76(113)66(44(2)3)97-67(104)53(79)36-46-27-30-51(99)31-28-46)68(105)89-43-64(101)98-34-15-25-62(98)75(112)96-59(38-47-26-29-48-18-9-10-19-49(48)35-47)72(109)90-57(24-14-33-86-78(83)84)71(108)94-60(39-50-41-87-54-22-12-11-20-52(50)54)73(110)95-61(40-65(102)103)74(111)91-56(23-13-32-85-77(81)82)70(107)93-58(69(106)88-42-63(80)100)37-45-16-7-6-8-17-45/h6-12,16-20,22,26-31,35,41,44,53,55-62,66,87,99H,4-5,13-15,21,23-25,32-34,36-40,42-43,79H2,1-3H3,(H2,80,100)(H,88,106)(H,89,105)(H,90,109)(H,91,111)(H,92,113)(H,93,107)(H,94,108)(H,95,110)(H,96,112)(H,97,104)(H,102,103)(H4,81,82,85)(H4,83,84,86)/t53-,55-,56-,57-,58-,59?,60-,61-,62-,66-/m0/s1
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Article
PubMed
0.220n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134946
PNG
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1
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UniChem

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Article
PubMed
0.810n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134946
PNG
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1
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Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134947
PNG
(CHEMBL2370963 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-58(36-46-18-10-7-11-19-46)71(109)91-56(24-15-32-86-77(82)83)70(108)95-59(37-48-25-28-49-20-12-13-21-50(49)33-48)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58-,59?,60-,61-,65-/m0/s1
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PubMed
1.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134954
PNG
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1
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PubMed
2.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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Article
PubMed
4.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
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PubMed
5.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134946
PNG
(CHEMBL2370964 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H104N22O15/c1-4-5-20-56(96-77(116)67(44(2)3)101-68(107)54(80)33-46-25-28-52(102)29-26-46)69(108)91-42-65(104)93-62(37-51-40-86-43-92-51)75(114)98-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)94-58(23-14-31-88-79(84)85)72(111)99-61(36-50-39-89-55-21-12-11-19-53(50)55)74(113)100-63(38-66(105)106)76(115)95-57(22-13-30-87-78(82)83)71(110)97-59(70(109)90-41-64(81)103)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,89,102H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H2,81,103)(H,86,92)(H,90,109)(H,91,108)(H,93,104)(H,94,112)(H,95,115)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,113)(H,101,107)(H,105,106)(H4,82,83,87)(H4,84,85,88)/t54-,56-,57-,58-,59-,60?,61-,62-,63-,67-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134954
PNG
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134944
PNG
(CHEMBL409049 | H-Tyr-Val-c[Pen-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)95-60-70(108)85-37-58(98)87-55(33-45-35-80-39-86-45)67(105)91-53(31-42-17-9-6-10-18-42)65(103)88-50(21-13-27-81-71(76)77)64(102)92-54(32-44-34-83-49-20-12-11-19-47(44)49)66(104)93-56(38-109-110-73(60,3)4)68(106)89-51(22-14-28-82-72(78)79)63(101)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,108)(H,87,98)(H,88,103)(H,89,106)(H,90,101)(H,91,105)(H,92,102)(H,93,104)(H,94,99)(H,95,107)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56-,59-,60-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134955
PNG
(CHEMBL2370968 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C78H104N20O15/c1-4-5-21-55(92-76(113)66(44(2)3)97-67(104)53(79)36-46-27-30-51(99)31-28-46)68(105)89-43-64(101)98-34-15-25-62(98)75(112)96-59(38-47-26-29-48-18-9-10-19-49(48)35-47)72(109)90-57(24-14-33-86-78(83)84)71(108)94-60(39-50-41-87-54-22-12-11-20-52(50)54)73(110)95-61(40-65(102)103)74(111)91-56(23-13-32-85-77(81)82)70(107)93-58(69(106)88-42-63(80)100)37-45-16-7-6-8-17-45/h6-12,16-20,22,26-31,35,41,44,53,55-62,66,87,99H,4-5,13-15,21,23-25,32-34,36-40,42-43,79H2,1-3H3,(H2,80,100)(H,88,106)(H,89,105)(H,90,109)(H,91,111)(H,92,113)(H,93,107)(H,94,108)(H,95,110)(H,96,112)(H,97,104)(H,102,103)(H4,81,82,85)(H4,83,84,86)/t53-,55-,56-,57-,58-,59?,60-,61-,62-,66-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134947
PNG
(CHEMBL2370963 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-58(36-46-18-10-7-11-19-46)71(109)91-56(24-15-32-86-77(82)83)70(108)95-59(37-48-25-28-49-20-12-13-21-50(49)33-48)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58-,59?,60-,61-,65-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134947
PNG
(CHEMBL2370963 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-58(36-46-18-10-7-11-19-46)71(109)91-56(24-15-32-86-77(82)83)70(108)95-59(37-48-25-28-49-20-12-13-21-50(49)33-48)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58-,59?,60-,61-,65-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134954
PNG
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
KEGG

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62n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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68n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134943
PNG
(CHEMBL2370966 | H-Tyr-Val-Nle-Gly-Aib-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H104N20O15/c1-4-5-22-52(90-73(110)63(43(2)3)95-64(101)51(77)36-46-26-29-50(96)30-27-46)65(102)86-42-61(98)87-55(31-32-76)69(106)92-57(38-45-18-10-7-11-19-45)70(107)88-54(24-15-34-84-75(81)82)68(105)93-58(39-47-25-28-48-20-12-13-21-49(48)35-47)71(108)94-59(40-62(99)100)72(109)89-53(23-14-33-83-74(79)80)67(104)91-56(66(103)85-41-60(78)97)37-44-16-8-6-9-17-44/h6-13,16-21,25-30,35,43,51-59,63,96H,4-5,14-15,22-24,31-34,36-42,76-77H2,1-3H3,(H2,78,97)(H,85,103)(H,86,102)(H,87,98)(H,88,107)(H,89,109)(H,90,110)(H,91,104)(H,92,106)(H,93,105)(H,94,108)(H,95,101)(H,99,100)(H4,79,80,83)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57?,58?,59-,63-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134959
PNG
(CHEMBL438235 | H-Tyr-Val-Nle-c[Pen-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14S2/c1-6-7-23-54(96-75(115)64(44(2)3)101-66(106)52(80)33-47-27-29-50(103)30-28-47)70(110)102-65-76(116)91-41-63(105)93-60(37-49-39-86-43-92-49)73(113)98-58(35-46-20-12-9-13-21-46)71(111)94-55(25-16-31-87-77(82)83)69(109)99-59(36-48-38-89-53-24-15-14-22-51(48)53)72(112)100-61(42-117-118-79(65,4)5)74(114)95-56(26-17-32-88-78(84)85)68(108)97-57(67(107)90-40-62(81)104)34-45-18-10-8-11-19-45/h8-15,18-22,24,27-30,38-39,43-44,52,54-61,64-65,89,103H,6-7,16-17,23,25-26,31-37,40-42,80H2,1-5H3,(H2,81,104)(H,86,92)(H,90,107)(H,91,116)(H,93,105)(H,94,111)(H,95,114)(H,96,115)(H,97,108)(H,98,113)(H,99,109)(H,100,112)(H,101,106)(H,102,110)(H4,82,83,87)(H4,84,85,88)/t52-,54-,55-,56-,57-,58+,59-,60-,61+,64-,65-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134959
PNG
(CHEMBL438235 | H-Tyr-Val-Nle-c[Pen-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14S2/c1-6-7-23-54(96-75(115)64(44(2)3)101-66(106)52(80)33-47-27-29-50(103)30-28-47)70(110)102-65-76(116)91-41-63(105)93-60(37-49-39-86-43-92-49)73(113)98-58(35-46-20-12-9-13-21-46)71(111)94-55(25-16-31-87-77(82)83)69(109)99-59(36-48-38-89-53-24-15-14-22-51(48)53)72(112)100-61(42-117-118-79(65,4)5)74(114)95-56(26-17-32-88-78(84)85)68(108)97-57(67(107)90-40-62(81)104)34-45-18-10-8-11-19-45/h8-15,18-22,24,27-30,38-39,43-44,52,54-61,64-65,89,103H,6-7,16-17,23,25-26,31-37,40-42,80H2,1-5H3,(H2,81,104)(H,86,92)(H,90,107)(H,91,116)(H,93,105)(H,94,111)(H,95,114)(H,96,115)(H,97,108)(H,98,113)(H,99,109)(H,100,112)(H,101,106)(H,102,110)(H4,82,83,87)(H4,84,85,88)/t52-,54-,55-,56-,57-,58+,59-,60-,61+,64-,65-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134944
PNG
(CHEMBL409049 | H-Tyr-Val-c[Pen-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)95-60-70(108)85-37-58(98)87-55(33-45-35-80-39-86-45)67(105)91-53(31-42-17-9-6-10-18-42)65(103)88-50(21-13-27-81-71(76)77)64(102)92-54(32-44-34-83-49-20-12-11-19-47(44)49)66(104)93-56(38-109-110-73(60,3)4)68(106)89-51(22-14-28-82-72(78)79)63(101)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,108)(H,87,98)(H,88,103)(H,89,106)(H,90,101)(H,91,105)(H,92,102)(H,93,104)(H,94,99)(H,95,107)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56-,59-,60-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134945
PNG
(CHEMBL438030 | H-Tyr-Val-Nle-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H102N22O15/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)87-40-61(100)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(80)81)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-62(101)102)72(111)91-53(23-14-29-83-74(78)79)67(106)93-55(66(105)86-39-60(77)99)32-43-16-8-6-9-17-43/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76H2,1-3H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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190n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134953
PNG
(CHEMBL410168 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56-,59-/m0/s1
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210n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134958
PNG
(CHEMBL427629 | H-Tyr-Val-Nle-c[D-Cys-His-Phe-Arg-T...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60-,61-,64-/m0/s1
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210n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134949
PNG
(CHEMBL263878 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61+,64-/m0/s1
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220n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134949
PNG
(CHEMBL263878 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61+,64-/m0/s1
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240n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134952
PNG
(CHEMBL443590 | H-Tyr-Val-c[D-Cys-Gly-His-Phe-Arg-T...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55-,56-,59-/m0/s1
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460n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134956
PNG
(CHEMBL441760 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)93-56-38-109-110-73(3,4)60(70(108)89-51(22-14-28-82-72(78)79)65(103)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41)95-68(106)54(32-44-34-83-49-20-12-11-19-47(44)49)92-64(102)50(21-13-27-81-71(76)77)88-66(104)53(31-42-17-9-6-10-18-42)91-67(105)55(33-45-35-80-39-86-45)87-58(98)37-85-63(56)101/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,101)(H,87,98)(H,88,104)(H,89,108)(H,90,103)(H,91,105)(H,92,102)(H,93,107)(H,94,99)(H,95,106)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56+,59-,60+/m0/s1
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480n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134956
PNG
(CHEMBL441760 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)93-56-38-109-110-73(3,4)60(70(108)89-51(22-14-28-82-72(78)79)65(103)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41)95-68(106)54(32-44-34-83-49-20-12-11-19-47(44)49)92-64(102)50(21-13-27-81-71(76)77)88-66(104)53(31-42-17-9-6-10-18-42)91-67(105)55(33-45-35-80-39-86-45)87-58(98)37-85-63(56)101/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,101)(H,87,98)(H,88,104)(H,89,108)(H,90,103)(H,91,105)(H,92,102)(H,93,107)(H,94,99)(H,95,106)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56+,59-,60+/m0/s1
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480n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134948
PNG
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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690n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134948
PNG
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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730n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134958
PNG
(CHEMBL427629 | H-Tyr-Val-Nle-c[D-Cys-His-Phe-Arg-T...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60-,61-,64-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134957
PNG
(CHEMBL2370965 | H-Tyr-Val-Nle-Gly-MePhe-Phe-Arg-D-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H107N19O15/c1-5-6-28-58(94-77(114)68(48(2)3)99-69(106)57(82)40-51-32-35-56(101)36-33-51)70(107)91-47-66(103)100-81(4,45-52-24-14-9-15-25-52)78(115)98-63(42-50-22-12-8-13-23-50)75(112)92-60(30-19-38-89-80(86)87)73(110)96-62(43-53-31-34-54-26-16-17-27-55(54)39-53)74(111)97-64(44-67(104)105)76(113)93-59(29-18-37-88-79(84)85)72(109)95-61(71(108)90-46-65(83)102)41-49-20-10-7-11-21-49/h7-17,20-27,31-36,39,48,57-64,68,101H,5-6,18-19,28-30,37-38,40-47,82H2,1-4H3,(H2,83,102)(H,90,108)(H,91,107)(H,92,112)(H,93,113)(H,94,114)(H,95,109)(H,96,110)(H,97,111)(H,98,115)(H,99,106)(H,100,103)(H,104,105)(H4,84,85,88)(H4,86,87,89)/t57-,58-,59-,60-,61-,62?,63?,64-,68-,81-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134957
PNG
(CHEMBL2370965 | H-Tyr-Val-Nle-Gly-MePhe-Phe-Arg-D-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H107N19O15/c1-5-6-28-58(94-77(114)68(48(2)3)99-69(106)57(82)40-51-32-35-56(101)36-33-51)70(107)91-47-66(103)100-81(4,45-52-24-14-9-15-25-52)78(115)98-63(42-50-22-12-8-13-23-50)75(112)92-60(30-19-38-89-80(86)87)73(110)96-62(43-53-31-34-54-26-16-17-27-55(54)39-53)74(111)97-64(44-67(104)105)76(113)93-59(29-18-37-88-79(84)85)72(109)95-61(71(108)90-46-65(83)102)41-49-20-10-7-11-21-49/h7-17,20-27,31-36,39,48,57-64,68,101H,5-6,18-19,28-30,37-38,40-47,82H2,1-4H3,(H2,83,102)(H,90,108)(H,91,107)(H,92,112)(H,93,113)(H,94,114)(H,95,109)(H,96,110)(H,97,111)(H,98,115)(H,99,106)(H,100,103)(H,104,105)(H4,84,85,88)(H4,86,87,89)/t57-,58-,59-,60-,61-,62?,63?,64-,68-,81-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134958
PNG
(CHEMBL427629 | H-Tyr-Val-Nle-c[D-Cys-His-Phe-Arg-T...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60-,61-,64-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134944
PNG
(CHEMBL409049 | H-Tyr-Val-c[Pen-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C73H98N22O13S2/c1-40(2)59(94-61(99)48(74)29-43-23-25-46(96)26-24-43)69(107)95-60-70(108)85-37-58(98)87-55(33-45-35-80-39-86-45)67(105)91-53(31-42-17-9-6-10-18-42)65(103)88-50(21-13-27-81-71(76)77)64(102)92-54(32-44-34-83-49-20-12-11-19-47(44)49)66(104)93-56(38-109-110-73(60,3)4)68(106)89-51(22-14-28-82-72(78)79)63(101)90-52(62(100)84-36-57(75)97)30-41-15-7-5-8-16-41/h5-12,15-20,23-26,34-35,39-40,48,50-56,59-60,83,96H,13-14,21-22,27-33,36-38,74H2,1-4H3,(H2,75,97)(H,80,86)(H,84,100)(H,85,108)(H,87,98)(H,88,103)(H,89,106)(H,90,101)(H,91,105)(H,92,102)(H,93,104)(H,94,99)(H,95,107)(H4,76,77,81)(H4,78,79,82)/t48-,50-,51-,52-,53+,54-,55-,56-,59-,60-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134948
PNG
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134957
PNG
(CHEMBL2370965 | H-Tyr-Val-Nle-Gly-MePhe-Phe-Arg-D-...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H107N19O15/c1-5-6-28-58(94-77(114)68(48(2)3)99-69(106)57(82)40-51-32-35-56(101)36-33-51)70(107)91-47-66(103)100-81(4,45-52-24-14-9-15-25-52)78(115)98-63(42-50-22-12-8-13-23-50)75(112)92-60(30-19-38-89-80(86)87)73(110)96-62(43-53-31-34-54-26-16-17-27-55(54)39-53)74(111)97-64(44-67(104)105)76(113)93-59(29-18-37-88-79(84)85)72(109)95-61(71(108)90-46-65(83)102)41-49-20-10-7-11-21-49/h7-17,20-27,31-36,39,48,57-64,68,101H,5-6,18-19,28-30,37-38,40-47,82H2,1-4H3,(H2,83,102)(H,90,108)(H,91,107)(H,92,112)(H,93,113)(H,94,114)(H,95,109)(H,96,110)(H,97,111)(H,98,115)(H,99,106)(H,100,103)(H,104,105)(H4,84,85,88)(H4,86,87,89)/t57-,58-,59-,60-,61-,62?,63?,64-,68-,81-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134943
PNG
(CHEMBL2370966 | H-Tyr-Val-Nle-Gly-Aib-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H104N20O15/c1-4-5-22-52(90-73(110)63(43(2)3)95-64(101)51(77)36-46-26-29-50(96)30-27-46)65(102)86-42-61(98)87-55(31-32-76)69(106)92-57(38-45-18-10-7-11-19-45)70(107)88-54(24-15-34-84-75(81)82)68(105)93-58(39-47-25-28-48-20-12-13-21-49(48)35-47)71(108)94-59(40-62(99)100)72(109)89-53(23-14-33-83-74(79)80)67(104)91-56(66(103)85-41-60(78)97)37-44-16-8-6-9-17-44/h6-13,16-21,25-30,35,43,51-59,63,96H,4-5,14-15,22-24,31-34,36-42,76-77H2,1-3H3,(H2,78,97)(H,85,103)(H,86,102)(H,87,98)(H,88,107)(H,89,109)(H,90,110)(H,91,104)(H,92,106)(H,93,105)(H,94,108)(H,95,101)(H,99,100)(H4,79,80,83)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57?,58?,59-,63-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134942
PNG
(CHEMBL411564 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56+,59-/m0/s1
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>3.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134952
PNG
(CHEMBL443590 | H-Tyr-Val-c[D-Cys-Gly-His-Phe-Arg-T...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55-,56-,59-/m0/s1
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>3.90E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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>4.80E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134943
PNG
(CHEMBL2370966 | H-Tyr-Val-Nle-Gly-Aib-Phe-Arg-D-Na...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C75H104N20O15/c1-4-5-22-52(90-73(110)63(43(2)3)95-64(101)51(77)36-46-26-29-50(96)30-27-46)65(102)86-42-61(98)87-55(31-32-76)69(106)92-57(38-45-18-10-7-11-19-45)70(107)88-54(24-15-34-84-75(81)82)68(105)93-58(39-47-25-28-48-20-12-13-21-49(48)35-47)71(108)94-59(40-62(99)100)72(109)89-53(23-14-33-83-74(79)80)67(104)91-56(66(103)85-41-60(78)97)37-44-16-8-6-9-17-44/h6-13,16-21,25-30,35,43,51-59,63,96H,4-5,14-15,22-24,31-34,36-42,76-77H2,1-3H3,(H2,78,97)(H,85,103)(H,86,102)(H,87,98)(H,88,107)(H,89,109)(H,90,110)(H,91,104)(H,92,106)(H,93,105)(H,94,108)(H,95,101)(H,99,100)(H4,79,80,83)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57?,58?,59-,63-/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134942
PNG
(CHEMBL411564 | H-Tyr-Val-c[Cys-Gly-His-Phe-Arg-Trp...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C71H94N22O13S2/c1-39(2)59(93-60(97)47(72)27-42-21-23-45(94)24-22-42)69(106)92-55-36-107-108-37-56(68(105)87-50(20-12-26-80-71(76)77)63(100)88-51(61(98)82-34-57(73)95)28-40-13-5-3-6-14-40)91-66(103)53(30-43-32-81-48-18-10-9-17-46(43)48)90-64(101)49(19-11-25-79-70(74)75)86-65(102)52(29-41-15-7-4-8-16-41)89-67(104)54(31-44-33-78-38-84-44)85-58(96)35-83-62(55)99/h3-10,13-18,21-24,32-33,38-39,47,49-56,59,81,94H,11-12,19-20,25-31,34-37,72H2,1-2H3,(H2,73,95)(H,78,84)(H,82,98)(H,83,99)(H,85,96)(H,86,102)(H,87,105)(H,88,100)(H,89,104)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H4,74,75,79)(H4,76,77,80)/t47-,49-,50-,51-,52+,53-,54-,55+,56+,59-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134949
PNG
(CHEMBL263878 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61+,64-/m0/s1
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
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