Compile Data Set for Download or QSAR
Found 2408 Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5'
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105879(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)
Show SMILES CCCC[C@H](NC(C)=O)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42+,43-,44+,45+/m1/s1
Affinity DataKi:  0.0900nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50165931(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1
Affinity DataKi:  0.170nMAssay Description:Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50165935(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1
Affinity DataKi:  0.260nMAssay Description:Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105883(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1
Affinity DataKi:  0.390nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389783(CHEMBL2070245)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1
Affinity DataKi:  0.470nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50017181(CHEMBL441738)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
Affinity DataKi:  0.480nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50358564(CHEMBL1923667)
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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(82)83)70(108)95-58(36-46-18-10-7-11-19-46)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
Affinity DataKi:  0.710nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50358562(CHEMBL1923665)
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](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
Affinity DataKi:  0.760nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50165932(Ac-YRMEHdFRWG-NH2 | CHEMBL266879)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1
Affinity DataKi:  0.840nMAssay Description:Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114083(9-Benzyl-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3...)
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48N10O7/c1-23-36(53)48-31(18-25-20-43-28-12-6-5-11-27(25)28)38(55)47-29(35(40)52)13-7-8-16-42-33(50)14-15-34(51)46-32(19-26-21-41-22-44-26)39(56)49-30(37(54)45-23)17-24-9-3-2-4-10-24/h2-6,9-12,20-23,29-32,43H,7-8,13-19H2,1H3,(H2,40,52)(H,41,44)(H,42,50)(H,45,54)(H,46,51)(H,47,55)(H,48,53)(H,49,56)/t23-,29+,30+,31+,32-/m0/s1
Affinity DataKi: <1nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114088(9-Benzyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)
Show SMILES C[C@@H]1NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C39H53N11O7/c1-23-35(54)49-30(20-24-10-3-2-4-11-24)37(56)48-29(15-9-19-44-39(41)42)36(55)50-31(21-25-22-45-27-13-6-5-12-26(25)27)38(57)47-28(34(40)53)14-7-8-18-43-32(51)16-17-33(52)46-23/h2-6,10-13,22-23,28-31,45H,7-9,14-21H2,1H3,(H2,40,53)(H,43,51)(H,46,52)(H,47,57)(H,48,56)(H,49,54)(H,50,55)(H4,41,42,44)/t23-,28+,29-,30+,31+/m0/s1
Affinity DataKi: <1nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50134946(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
Affinity DataKi:  1nMAssay Description:Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114077(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C36H51N13O7/c1-20-32(53)48-26(10-6-14-42-36(38)39)33(54)49-27(15-21-17-43-24-8-3-2-7-23(21)24)35(56)47-25(31(37)52)9-4-5-13-41-29(50)11-12-30(51)46-28(34(55)45-20)16-22-18-40-19-44-22/h2-3,7-8,17-20,25-28,43H,4-6,9-16H2,1H3,(H2,37,52)(H,40,44)(H,41,50)(H,45,55)(H,46,51)(H,47,56)(H,48,53)(H,49,54)(H4,38,39,42)/t20-,25-,26+,27-,28+/m1/s1
Affinity DataKi: <1nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114085((O)C-(C6H4)-C(O)-c[His-D-Phe-Arg-Trp-Lys]-NH2) (MK...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C46H55N13O7/c47-39(60)34-17-8-9-19-51-40(61)31-14-4-5-15-32(31)41(62)57-38(23-29-25-50-26-54-29)45(66)58-36(21-27-11-2-1-3-12-27)43(64)56-35(18-10-20-52-46(48)49)42(63)59-37(44(65)55-34)22-28-24-53-33-16-7-6-13-30(28)33/h1-7,11-16,24-26,34-38,53H,8-10,17-23H2,(H2,47,60)(H,50,54)(H,51,61)(H,55,65)(H,56,64)(H,57,62)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36-,37-,38+/m1/s1
Affinity DataKi: <1nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389773(CHEMBL2070246)
Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50358563(CHEMBL1923666)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)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/C91H122N24O17/c1-5-7-10-31-75(118)99-38-18-17-26-63(92)79(122)110-69(43-55-33-36-61(116)37-34-55)88(131)115-78(53(3)4)89(132)109-65(27-8-6-2)80(123)104-51-76(119)106-72(46-60-49-98-52-105-60)86(129)112-70(44-56-32-35-57-23-13-14-24-58(57)41-56)84(127)107-67(30-20-40-101-91(96)97)83(126)113-71(45-59-48-102-64-28-16-15-25-62(59)64)85(128)114-73(47-77(120)121)87(130)108-66(29-19-39-100-90(94)95)82(125)111-68(81(124)103-50-74(93)117)42-54-21-11-9-12-22-54/h1,9,11-16,21-25,28,32-37,41,48-49,52-53,63,65-73,78,102,116H,6-8,10,17-20,26-27,29-31,38-40,42-47,50-51,92H2,2-4H3,(H2,93,117)(H,98,105)(H,99,118)(H,103,124)(H,104,123)(H,106,119)(H,107,127)(H,108,130)(H,109,132)(H,110,122)(H,111,125)(H,112,129)(H,113,126)(H,114,128)(H,115,131)(H,120,121)(H4,94,95,100)(H4,96,97,101)/t63-,65-,66-,67-,68-,69-,70+,71+,72-,73-,78-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389771(CHEMBL2070243)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1
Affinity DataKi:  1.60nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150842(4-[((R)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m1/s1
Affinity DataKi:  2.10nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM82411(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
Affinity DataKi:  2.39nMMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM85021(alpha-MSH, [Nle4, D-Phe7])
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(O)=O
Show InChI InChI=1S/C78H110N20O20/c1-5-6-19-52(90-74(114)61(41-100)96-71(111)57(34-46-24-26-49(102)27-25-46)93-73(113)60(40-99)87-44(4)101)67(107)91-54(28-29-64(104)105)69(109)95-59(36-48-38-82-42-86-48)72(112)92-56(33-45-16-8-7-9-17-45)70(110)89-53(22-14-31-83-78(80)81)68(108)94-58(35-47-37-84-51-20-11-10-18-50(47)51)66(106)85-39-63(103)88-55(21-12-13-30-79)76(116)98-32-15-23-62(98)75(115)97-65(43(2)3)77(117)118/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,84,99-100,102H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H,82,86)(H,85,106)(H,87,101)(H,88,103)(H,89,110)(H,90,114)(H,91,107)(H,92,112)(H,93,113)(H,94,108)(H,95,109)(H,96,111)(H,97,115)(H,104,105)(H,117,118)(H4,80,81,83)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
Affinity DataKi:  2.39nMMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389780(CHEMBL2069317)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C92H143N27O20/c1-4-5-30-65(82(128)109-68-37-39-78(124)98-40-25-24-32-64(81(94)127)105-86(132)70(47-59-50-101-63-31-23-22-29-62(59)63)110-83(129)66(33-26-41-100-92(95)96)106-85(131)69(46-58-27-18-17-19-28-58)112-90(136)74-49-61(121)53-119(74)91(68)137)107-88(134)72(54-118(2)3)113-87(133)71(48-60-51-97-57-103-60)111-84(130)67(36-38-75(93)122)108-89(135)73(55-120)104-79(125)52-102-80(126)56-139-45-44-138-43-42-99-77(123)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-76-114-116-117-115-76/h17-19,22-23,27-29,31,50-51,57,61,64-74,101,120-121H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,93,122)(H2,94,127)(H,97,103)(H,98,124)(H,99,123)(H,102,126)(H,104,125)(H,105,132)(H,106,131)(H,107,134)(H,108,135)(H,109,128)(H,110,129)(H,111,130)(H,112,136)(H,113,133)(H4,95,96,100)(H,114,115,116,117)/t61-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+/m1/s1
Affinity DataKi:  2.90nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389775(CHEMBL2070248)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C74H114N18O15/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-60(94)81-42-62(96)82-43-63(97)83-44-64(98)84-45-65(99)85-46-66(100)86-54(29-6-4-2)68(102)89-56-34-35-61(95)78-36-24-23-31-53(67(75)101)87-71(105)58(39-49-41-80-52-30-22-21-28-51(49)52)90-69(103)55(32-25-37-79-74(76)77)88-70(104)57(38-48-26-18-17-19-27-48)91-72(106)59-40-50(93)47-92(59)73(56)107/h17-19,21-22,26-28,30,41,50,53-59,80,93H,3-16,20,23-25,29,31-40,42-47H2,1-2H3,(H2,75,101)(H,78,95)(H,81,94)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,104)(H,89,102)(H,90,103)(H,91,106)(H4,76,77,79)/t50-,53+,54+,55+,56+,57-,58+,59+/m1/s1
Affinity DataKi:  3nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389778(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
Affinity DataKi:  3nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389779(CHEMBL2070252)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
Affinity DataKi:  3.40nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50358565(CHEMBL1923668)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCNC(=O)CCCC#C)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)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/C89H121N23O17/c1-5-7-11-32-73(115)97-39-19-18-28-62(90)77(119)107-68(45-56-34-37-61(113)38-35-56)86(128)112-76(53(3)4)87(129)106-63(29-8-6-2)78(120)101-51-74(116)103-70(47-60-49-96-52-102-60)84(126)110-69(46-57-33-36-58-26-16-17-27-59(58)42-57)82(124)104-65(31-21-41-99-89(94)95)81(123)109-67(44-55-24-14-10-15-25-55)83(125)111-71(48-75(117)118)85(127)105-64(30-20-40-98-88(92)93)80(122)108-66(79(121)100-50-72(91)114)43-54-22-12-9-13-23-54/h1,9-10,12-17,22-27,33-38,42,49,52-53,62-71,76,113H,6-8,11,18-21,28-32,39-41,43-48,50-51,90H2,2-4H3,(H2,91,114)(H,96,102)(H,97,115)(H,100,121)(H,101,120)(H,103,116)(H,104,124)(H,105,127)(H,106,129)(H,107,119)(H,108,122)(H,109,123)(H,110,126)(H,111,125)(H,112,128)(H,117,118)(H4,92,93,98)(H4,94,95,99)/t62-,63-,64-,65-,66-,67+,68-,69+,70-,71-,76-/m0/s1
Affinity DataKi:  3.90nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389772(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
Affinity DataKi:  4.30nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105880(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)
Show SMILES CC(=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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1
Affinity DataKi:  4.30nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389770(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
Affinity DataKi:  5.10nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150835(4-[N''-(2-Amino-2-methyl-propyl)-N''''-cyclohexyl-...)
Show SMILES CC(C)(N)CNC(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C26H35Cl2N5O/c1-26(2,29)17-31-25(32-21-6-4-3-5-7-21)33-22-12-9-19(10-13-22)24(34)30-15-14-18-8-11-20(27)16-23(18)28/h8-13,16,21H,3-7,14-15,17,29H2,1-2H3,(H,30,34)(H2,31,32,33)
Affinity DataKi:  5.30nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150837(4-[((S)-N-(R)-Cyclohexyl-2,5-dimethyl-piperazine-1...)
Show SMILES C[C@H]1CN([C@H](C)CN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-18-35(20(2)17-32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)/t19-,20+/m0/s1
Affinity DataKi:  5.90nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114079(15-(2-Acetylamino-hexanoylamino)-9-benzyl-6-(3-gua...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[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](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C51H71N15O9/c1-3-4-17-37(60-30(2)67)45(70)66-42-26-43(68)56-21-12-6-9-19-36(44(52)69)61-48(73)40(24-32-27-58-35-18-11-10-16-34(32)35)64-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-5-8-15-31)63-49(74)41(65-50(42)75)25-33-28-55-29-59-33/h5,7-8,10-11,14-16,18,27-29,36-42,58H,3-4,6,9,12-13,17,19-26H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,75)(H,66,70)(H4,53,54,57)
Affinity DataKi:  7nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50134951(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
Affinity DataKi:  8.80nMAssay Description:Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50121900(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
Affinity DataKi:  9.90nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389776(CHEMBL2070249)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-63(80(126)108-66-35-37-76(122)97-38-23-22-30-62(79(93)125)104-84(130)68(45-57-49-100-61-29-21-20-27-60(57)61)109-81(127)64(31-24-39-99-90(94)95)105-83(129)67(44-56-25-16-15-17-26-56)111-88(134)72-47-59(119)52-117(72)89(66)135)106-86(132)70(48-91)112-85(131)69(46-58-50-96-55-102-58)110-82(128)65(34-36-73(92)120)107-87(133)71(53-118)103-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,49-50,55,59,62-72,100,118-119H,2-14,18-19,22-24,28,30-48,51-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,102)(H,97,122)(H,98,121)(H,101,124)(H,103,123)(H,104,130)(H,105,129)(H,106,132)(H,107,133)(H,108,126)(H,109,127)(H,110,128)(H,111,134)(H,112,131)(H4,94,95,99)(H,113,114,115,116)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
Affinity DataKi:  10nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150829(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C28H37Cl2N5O/c1-19-17-35(18-20(2)32-19)28(33-24-6-4-3-5-7-24)34-25-12-9-22(10-13-25)27(36)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24,32H,3-7,14-15,17-18H2,1-2H3,(H,31,36)(H,33,34)
Affinity DataKi:  11nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50261228(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC
Show InChI InChI=1S/C28H38Cl2N4O3/c1-18(2)27(32-26(35)17-31-4)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)19(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-16,18-19,27,31H,10-14,17H2,1-5H3,(H,32,35)/t19-,27+/m1/s1
Affinity DataKi:  13nMAssay Description:Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389782(CHEMBL2070374)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(O)=O)CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C96H146N28O25/c1-2-3-28-66(86(138)114-69-35-37-79(129)102-38-23-22-30-65(85(98)137)110-90(142)71(45-60-48-105-64-29-21-20-27-63(60)64)115-87(139)67(31-24-39-104-96(99)100)111-89(141)70(44-59-25-16-15-17-26-59)117-94(146)75-47-62(126)52-124(75)95(69)147)112-92(144)73(50-106-81(131)53-123(54-83(133)134)55-84(135)136)118-91(143)72(46-61-49-101-58-108-61)116-88(140)68(34-36-76(97)127)113-93(145)74(56-125)109-80(130)51-107-82(132)57-149-43-42-148-41-40-103-78(128)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-77-119-121-122-120-77/h15-17,20-21,25-27,29,48-49,58,62,65-75,105,125-126H,2-14,18-19,22-24,28,30-47,50-57H2,1H3,(H2,97,127)(H2,98,137)(H,101,108)(H,102,129)(H,103,128)(H,106,131)(H,107,132)(H,109,130)(H,110,142)(H,111,141)(H,112,144)(H,113,145)(H,114,138)(H,115,139)(H,116,140)(H,117,146)(H,118,143)(H,133,134)(H,135,136)(H4,99,100,104)(H,119,120,121,122)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
Affinity DataKi:  13nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50134955(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
Affinity DataKi:  14nMAssay Description:Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389774(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
Affinity DataKi:  15nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105887(CHEMBL2370553 | Cyclo Ac-Cys-Glu-His-D-(2')Nal-Arg...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C70H93N19O16S2/c1-38(90)80-53-35-106-107-36-54(68(104)89-26-10-18-56(89)69(105)88-25-9-17-55(88)60(96)47(15-6-7-23-71)82-61(97)45(72)31-59(94)95)81-57(91)34-78-62(98)51(29-42-32-77-46-14-5-4-13-44(42)46)86-63(99)48(16-8-24-76-70(73)74)83-65(101)50(28-39-19-20-40-11-2-3-12-41(40)27-39)85-66(102)52(30-43-33-75-37-79-43)87-64(100)49(84-67(53)103)21-22-58(92)93/h2-5,11-14,19-20,27,32-33,37,45,47-56,77H,6-10,15-18,21-26,28-31,34-36,71-72H2,1H3,(H,75,79)(H,78,98)(H,80,90)(H,81,91)(H,82,97)(H,83,101)(H,84,103)(H,85,102)(H,86,99)(H,87,100)(H,92,93)(H,94,95)(H4,73,74,76)/t45?,47?,48-,49+,50-,51+,52-,53+,54-,55?,56?/m0/s1
Affinity DataKi:  16nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50134947(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
Affinity DataKi:  17nMAssay Description:Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50389769(BREMELANOTIDE)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
Affinity DataKi:  17nMAssay Description:Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbuminMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150830(4-[(N-Cyclohexyl-piperazine-1-carboximidoyl)-amino...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCNCC3)cc2)c(Cl)c1
Show InChI InChI=1S/C26H33Cl2N5O/c27-21-9-6-19(24(28)18-21)12-13-30-25(34)20-7-10-23(11-8-20)32-26(33-16-14-29-15-17-33)31-22-4-2-1-3-5-22/h6-11,18,22,29H,1-5,12-17H2,(H,30,34)(H,31,32)
Affinity DataKi:  18nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105876(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)
Show SMILES 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1
Affinity DataKi:  18nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105892(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)
Show SMILES CCCC[C@H](NC(C)=O)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](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1
Affinity DataKi:  20nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150833(4-[((S)-N-Cyclohexyl-3-methyl-piperazine-1-carboxi...)
Show SMILES C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show InChI InChI=1S/C27H35Cl2N5O/c1-19-18-34(16-15-30-19)27(32-23-5-3-2-4-6-23)33-24-11-8-21(9-12-24)26(35)31-14-13-20-7-10-22(28)17-25(20)29/h7-12,17,19,23,30H,2-6,13-16,18H2,1H3,(H,31,35)(H,32,33)/t19-/m0/s1
Affinity DataKi:  21nMAssay Description:Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105882(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1
Affinity DataKi:  22nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105890(12-Amino-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)
Show SMILES 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](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
Show InChI InChI=1S/C40H51N11O6/c41-28-21-34(52)45-16-6-5-12-30(35(42)53)48-39(57)33(20-26-22-47-29-11-4-3-10-27(26)29)51-37(55)31(13-7-17-46-40(43)44)49-38(56)32(50-36(28)54)19-23-14-15-24-8-1-2-9-25(24)18-23/h1-4,8-11,14-15,18,22,28,30-33,47H,5-7,12-13,16-17,19-21,41H2,(H2,42,53)(H,45,52)(H,48,57)(H,49,56)(H,50,54)(H,51,55)(H4,43,44,46)/t28-,30+,31-,32-,33+/m0/s1
Affinity DataKi:  24nMAssay Description:Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)More data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50165933(CHEMBL428326 | GPYRMEHFRWGSPPKD-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C89H127N27O22S/c1-139-37-30-60(107-76(127)57(19-9-32-98-88(93)94)104-82(133)63(39-50-24-26-53(118)27-25-50)113-84(135)67-21-11-34-114(67)71(120)43-91)80(131)106-59(28-29-72(121)122)79(130)112-65(41-52-45-97-48-102-52)83(134)110-62(38-49-14-3-2-4-15-49)81(132)105-58(20-10-33-99-89(95)96)78(129)111-64(40-51-44-100-55-17-6-5-16-54(51)55)75(126)101-46-70(119)103-66(47-117)86(137)116-36-13-23-69(116)87(138)115-35-12-22-68(115)85(136)108-56(18-7-8-31-90)77(128)109-61(74(92)125)42-73(123)124/h2-6,14-17,24-27,44-45,48,56-69,100,117-118H,7-13,18-23,28-43,46-47,90-91H2,1H3,(H2,92,125)(H,97,102)(H,101,126)(H,103,119)(H,104,133)(H,105,132)(H,106,131)(H,107,127)(H,108,136)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,135)(H,121,122)(H,123,124)(H4,93,94,98)(H4,95,96,99)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
Affinity DataKi:  25nMAssay Description:Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50114078(8-(3-Guanidino-propyl)-2-(3H-imidazol-4-ylmethyl)-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C47H59N13O7/c48-42(63)35-13-5-6-19-52-40(61)15-7-16-41(62)56-39(24-32-26-51-27-55-32)46(67)59-37(22-28-17-18-29-9-1-2-10-30(29)21-28)44(65)58-36(14-8-20-53-47(49)50)43(64)60-38(45(66)57-35)23-31-25-54-34-12-4-3-11-33(31)34/h1-4,9-12,17-18,21,25-27,35-39,54H,5-8,13-16,19-20,22-24H2,(H2,48,63)(H,51,55)(H,52,61)(H,56,62)(H,57,66)(H,58,65)(H,59,67)(H,60,64)(H4,49,50,53)/t35-,36+,37-,38-,39+/m1/s1
Affinity DataKi:  26nMAssay Description:Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cellsMore data for this Ligand-Target Pair
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