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Compile Data Set for Download or QSAR

Found 473 hits of ki for UniProtKB: P33032   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50114083
PNG
(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
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells


J Med Chem 45: 2644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50114077
PNG
(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
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells


J Med Chem 45: 2644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50114085
PNG
((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
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells


J Med Chem 45: 2644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50114088
PNG
(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
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells


J Med Chem 45: 2644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105879
PNG
(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
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0.0900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50165931
PNG
(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
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50165935
PNG
(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
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0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105883
PNG
(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
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0.390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389783
PNG
(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 |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
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
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0.470n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50017181
PNG
(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 |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50358564
PNG
(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 |r,wU:12.12,4.4,32.32,42.43,57.60,68.71,79.83,98.102,wD:8.8,87.91,(2.8,4.52,;1.47,3.75,;1.47,2.22,;.14,1.44,;.14,-.09,;-1.2,-.87,;-2.53,-.09,;-2.53,1.44,;-3.86,-.87,;-5.19,-.09,;-6.53,-.87,;-6.53,-2.4,;-7.86,-.09,;-9.2,-.87,;-7.86,1.44,;-6.53,2.22,;-5.19,1.44,;-3.86,2.22,;-3.86,3.75,;-2.53,4.53,;-5.19,4.53,;-6.53,3.75,;-3.86,-2.4,;-2.53,-3.18,;-5.19,-3.18,;1.47,-.87,;1.47,-2.4,;2.8,-.09,;4.13,-.87,;5.46,-.09,;5.46,1.44,;6.8,-.87,;8.13,-.09,;8.13,1.44,;9.46,2.22,;10.94,1.76,;11.83,3.01,;10.9,4.25,;9.45,3.76,;9.46,-.87,;9.46,-2.4,;10.79,-.09,;12.13,-.87,;12.13,-2.4,;11.36,-3.72,;9.83,-3.7,;9.05,-5.02,;9.81,-6.35,;9.03,-7.67,;9.79,-9.01,;11.34,-9.01,;12.1,-7.68,;11.34,-6.36,;12.11,-5.04,;13.47,-.09,;13.47,1.44,;14.8,-.87,;16.13,-.09,;16.13,1.44,;17.47,2.22,;17.47,3.75,;18.8,4.53,;18.8,6.06,;17.47,6.83,;20.13,6.83,;17.47,-.87,;17.47,-2.4,;18.8,-.09,;20.13,-.87,;20.13,-2.4,;21.46,-3.18,;22.8,-2.4,;24.13,-3.18,;24.13,-4.71,;22.8,-5.48,;21.46,-4.71,;21.46,-.09,;21.46,1.44,;22.8,-.87,;24.13,-.09,;24.13,1.44,;25.46,2.22,;26.79,1.44,;25.46,3.75,;25.46,-.87,;25.46,-2.4,;26.79,-.09,;28.13,-.87,;28.13,-2.4,;29.46,-3.18,;29.46,-4.71,;30.79,-5.48,;30.79,-7.02,;29.46,-7.79,;32.12,-7.79,;29.46,-.09,;29.46,1.44,;30.79,-.87,;32.12,-.09,;32.12,1.44,;33.45,2.22,;34.79,1.44,;36.12,2.22,;36.12,3.75,;34.79,4.53,;33.45,3.75,;33.45,-.87,;33.45,-2.4,;34.79,-.09,;36.12,-.87,;37.46,-.09,;38.79,-.87,;37.46,1.44,)|
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
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0.710n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50358562
PNG
(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 |r,wU:8.8,90.95,wD:12.12,4.4,32.32,42.43,57.60,68.71,82.87,101.106,(4.17,-29.27,;2.84,-28.5,;2.84,-26.97,;1.5,-26.19,;1.5,-24.66,;.18,-23.88,;-1.16,-24.65,;-1.16,-26.2,;-2.5,-23.89,;-3.83,-24.66,;-5.16,-23.89,;-5.16,-22.35,;-6.5,-24.66,;-7.83,-23.89,;-6.5,-26.2,;-5.16,-26.97,;-3.83,-26.2,;-2.49,-26.96,;-2.49,-28.5,;-1.15,-29.27,;-3.83,-29.28,;-5.16,-28.51,;-2.5,-22.34,;-1.16,-21.57,;-3.83,-21.58,;2.84,-23.88,;2.84,-22.34,;4.17,-24.65,;5.51,-23.88,;6.84,-24.65,;6.84,-26.18,;8.17,-23.87,;9.5,-24.64,;9.5,-26.18,;10.84,-26.95,;12.31,-26.46,;13.22,-27.7,;12.32,-28.96,;10.85,-28.49,;10.84,-23.87,;10.84,-22.33,;12.18,-24.64,;13.51,-23.87,;13.51,-22.33,;14.27,-20.99,;13.48,-19.67,;14.23,-18.33,;15.78,-18.31,;16.53,-16.98,;18.07,-16.95,;18.86,-18.28,;18.1,-19.62,;16.56,-19.64,;15.81,-20.98,;14.84,-24.64,;14.84,-26.18,;16.17,-23.87,;17.51,-24.63,;17.51,-26.17,;18.85,-26.94,;18.85,-28.48,;20.18,-29.25,;20.18,-30.79,;18.85,-31.55,;21.52,-31.56,;18.85,-23.86,;18.85,-22.32,;20.18,-24.63,;21.51,-23.86,;21.51,-22.31,;22.84,-21.55,;24.09,-22.45,;25.34,-21.55,;24.86,-20.08,;25.63,-18.74,;24.86,-17.41,;23.32,-17.41,;22.55,-18.75,;23.32,-20.08,;22.84,-24.62,;22.84,-26.16,;24.18,-23.85,;25.51,-24.62,;25.51,-26.16,;26.85,-26.94,;28.18,-26.16,;26.85,-28.47,;26.85,-23.85,;26.85,-22.31,;28.18,-24.62,;29.52,-23.85,;29.52,-22.3,;30.85,-21.54,;30.85,-19.99,;32.18,-19.22,;32.18,-17.68,;30.84,-16.91,;33.51,-16.91,;30.85,-24.62,;30.85,-26.15,;32.19,-23.84,;33.51,-24.61,;33.51,-26.15,;34.85,-26.92,;36.18,-26.15,;37.52,-26.92,;37.52,-28.46,;36.19,-29.23,;34.86,-28.46,;34.85,-23.84,;34.85,-22.29,;36.19,-24.61,;37.52,-23.83,;38.85,-24.61,;40.19,-23.84,;38.85,-26.15,)|
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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0.760n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50165932
PNG
(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
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0.840n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
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 |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)|
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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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 5 (MC5R)


(Homo sapiens (Human))
BDBM50389773
PNG
(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 |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)|
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
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1.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50358563
PNG
(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 |r,wU:8.8,106.111,24.25,wD:12.21,4.4,48.48,58.59,73.76,84.87,98.103,117.122,(7.4,-50.38,;6.07,-49.61,;6.07,-48.07,;4.73,-47.3,;4.73,-45.77,;3.4,-44.99,;2.06,-45.76,;2.06,-47.31,;.73,-45,;-.6,-45.77,;-1.93,-45,;-1.93,-43.46,;-3.27,-45.77,;-3.27,-47.31,;-1.93,-48.08,;-.6,-47.3,;.73,-48.07,;.74,-49.61,;2.07,-50.38,;-.6,-50.38,;-1.94,-49.62,;-4.6,-45,;-5.94,-45.77,;-5.94,-47.31,;-7.27,-45,;-8.61,-45.77,;-7.27,-43.47,;-5.94,-42.7,;-5.94,-41.15,;-4.61,-40.38,;-4.61,-38.84,;-3.27,-38.07,;-3.27,-36.53,;-1.94,-38.84,;-.61,-38.07,;.73,-38.84,;2.06,-38.07,;3.38,-37.29,;.73,-43.45,;2.06,-42.68,;-.6,-42.69,;6.07,-44.99,;6.07,-43.45,;7.4,-45.76,;8.73,-44.99,;10.07,-45.76,;10.07,-47.29,;11.4,-44.98,;12.73,-45.75,;12.73,-47.29,;14.07,-48.06,;15.54,-47.57,;16.45,-48.81,;15.55,-50.07,;14.08,-49.6,;14.07,-44.98,;14.07,-43.44,;15.41,-45.75,;16.74,-44.98,;16.74,-43.44,;17.5,-42.1,;16.72,-40.78,;17.46,-39.44,;19.01,-39.42,;19.76,-38.08,;21.3,-38.06,;22.09,-39.39,;21.33,-40.73,;19.79,-40.75,;19.04,-42.09,;18.07,-45.75,;18.07,-47.28,;19.4,-44.98,;20.74,-45.74,;20.74,-47.28,;22.08,-48.05,;22.08,-49.59,;23.41,-50.36,;23.41,-51.89,;22.08,-52.66,;24.75,-52.67,;22.08,-44.97,;22.08,-43.43,;23.41,-45.74,;24.74,-44.97,;24.74,-43.42,;26.07,-42.65,;27.32,-43.56,;28.57,-42.65,;28.09,-41.19,;28.86,-39.85,;28.09,-38.52,;26.55,-38.52,;25.78,-39.86,;26.55,-41.19,;26.07,-45.73,;26.07,-47.27,;27.41,-44.96,;28.74,-45.73,;28.74,-47.27,;30.08,-48.04,;31.41,-47.27,;30.08,-49.58,;30.08,-44.96,;30.08,-43.42,;31.41,-45.73,;32.75,-44.96,;32.75,-43.41,;34.08,-42.65,;34.08,-41.1,;35.41,-40.33,;35.41,-38.79,;34.07,-38.01,;36.74,-38.02,;34.08,-45.73,;34.08,-47.26,;35.42,-44.95,;36.74,-45.72,;36.74,-47.26,;38.09,-48.03,;39.42,-47.26,;40.75,-48.03,;40.76,-49.57,;39.42,-50.34,;38.09,-49.56,;38.09,-44.95,;38.09,-43.4,;39.42,-45.72,;40.75,-44.94,;42.08,-45.72,;43.42,-44.95,;42.08,-47.25,)|
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
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1.40n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389771
PNG
(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 |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
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
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1.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150842
PNG
(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 |w:28.31|
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
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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2.39n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM85021
PNG
(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 |r,wU:77.79,95.99,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,55.56,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
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
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2.39n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389780
PNG
(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 |r,wU:35.38,26.32,78.79,128.138,117.121,106.110,88.142,wD:16.23,8.12,4.4,92.94,130.135,(42.02,-50.97,;42.81,-49.65,;42.06,-48.29,;42.86,-46.97,;42.11,-45.63,;40.57,-45.63,;39.83,-44.24,;40.61,-42.94,;38.28,-44.24,;37.49,-45.55,;38.24,-46.9,;37.44,-48.22,;39.78,-46.9,;37.53,-42.88,;38.33,-41.56,;39.87,-41.56,;37.58,-40.22,;36.04,-40.22,;35.25,-41.51,;35.85,-42.93,;34.69,-43.95,;33.37,-43.16,;33.71,-41.66,;38.37,-38.9,;37.62,-37.55,;36.08,-37.55,;38.41,-36.23,;39.95,-36.23,;40.75,-34.96,;42.28,-34.96,;43.03,-36.31,;43.08,-33.64,;37.66,-34.88,;38.45,-33.56,;39.99,-33.56,;37.71,-32.22,;38.5,-30.9,;40.04,-30.9,;36.16,-32.22,;35.42,-30.85,;36.21,-29.53,;33.88,-30.85,;33.13,-29.47,;33.92,-28.15,;35.46,-28.15,;33.18,-26.81,;33.97,-25.49,;35.51,-25.49,;36.26,-26.86,;37.8,-26.86,;38.54,-28.24,;40.08,-28.24,;40.88,-26.97,;42.42,-26.97,;43.16,-28.32,;43.21,-25.65,;44.75,-25.65,;45.5,-27.03,;47.04,-27.03,;47.78,-28.4,;49.32,-28.4,;50.07,-29.77,;51.61,-29.77,;52.35,-31.15,;53.89,-31.15,;54.69,-29.86,;53.94,-28.51,;54.73,-27.19,;53.99,-25.84,;54.78,-24.52,;54.03,-23.17,;52.5,-22.99,;52.21,-21.48,;53.55,-20.73,;54.69,-21.79,;42.9,-44.31,;42.15,-42.96,;44.45,-44.31,;45.23,-43.02,;44.66,-41.59,;45.69,-39.96,;45.69,-31.65,;44.6,-30.56,;67.64,-31.65,;67.64,-36.79,;66.27,-37.55,;66.27,-39.08,;64.91,-39.84,;64.91,-41.38,;63.56,-42.12,;62.24,-41.33,;62.24,-39.8,;60.89,-42.09,;60.89,-43.63,;62.19,-44.41,;63.6,-43.81,;64.62,-44.97,;63.83,-46.29,;64.29,-47.76,;63.24,-48.89,;61.73,-48.55,;61.29,-47.08,;62.33,-45.95,;59.57,-41.3,;58.23,-42.05,;58.23,-43.59,;56.9,-41.26,;56.9,-39.72,;58.27,-38.97,;58.27,-37.43,;59.66,-36.68,;59.66,-35.14,;58.34,-34.35,;61,-34.39,;55.56,-42.01,;54.23,-41.23,;54.23,-39.68,;52.89,-41.97,;52.89,-43.51,;54.19,-44.3,;55.54,-43.55,;56.86,-44.34,;56.86,-45.88,;55.49,-46.63,;54.19,-45.84,;51.57,-41.18,;50.23,-41.93,;50.23,-43.47,;48.91,-41.14,;49.01,-39.59,;47.36,-39.23,;46.69,-37.7,;46.52,-40.68,;47.63,-41.95,;46.76,-43.23,;47.42,-44.61,;66.23,-42.17,;67.57,-41.42,;66.23,-43.7,)|
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
UniProtKB/SwissProt

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2.90n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389775
PNG
(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 |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)|
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
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3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389778
PNG
(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 |r,wU:81.82,131.141,120.124,109.113,91.145,38.41,29.35,wD:4.4,95.97,133.138,19.26,8.15,(27.51,-14.26,;28.31,-12.94,;27.56,-11.59,;28.36,-10.27,;27.6,-8.92,;26.07,-8.9,;25.32,-7.56,;26.11,-6.23,;23.78,-7.53,;22.99,-8.85,;23.73,-10.19,;22.94,-11.51,;21.4,-11.48,;20.6,-12.8,;19.06,-12.77,;21.35,-14.15,;23.03,-6.18,;23.82,-4.86,;25.36,-4.89,;23.07,-3.52,;21.53,-3.49,;20.74,-4.81,;21.34,-6.23,;20.18,-7.24,;18.86,-6.45,;19.21,-4.95,;23.86,-2.2,;23.11,-.84,;21.58,-.82,;23.9,.47,;25.45,.44,;26.24,1.77,;27.78,1.74,;28.52,.4,;28.57,3.06,;23.16,1.82,;23.95,3.14,;25.49,3.11,;23.2,4.48,;23.99,5.81,;25.53,5.78,;21.66,4.51,;20.91,5.86,;21.7,7.18,;19.37,5.88,;18.62,7.23,;19.42,8.56,;20.96,8.53,;18.67,9.91,;19.47,11.23,;21.01,11.2,;21.75,9.85,;23.29,9.82,;24.04,8.47,;25.58,8.45,;26.37,9.76,;27.91,9.74,;28.66,8.4,;28.7,11.07,;30.24,11.03,;30.99,9.69,;32.53,9.65,;33.28,8.31,;34.82,8.29,;35.56,6.93,;37.1,6.9,;37.85,5.56,;39.39,5.53,;40.18,6.85,;39.44,8.2,;40.23,9.53,;39.48,10.87,;40.28,12.19,;39.53,13.54,;37.99,13.72,;37.71,15.22,;39.04,15.98,;40.18,14.92,;28.4,-7.61,;27.65,-6.26,;29.94,-7.63,;30.73,-6.31,;30.15,-4.88,;31.2,-3.25,;31.18,5.06,;30.09,6.14,;53.17,5.11,;53.13,-.09,;51.79,-.84,;51.76,-2.38,;50.42,-3.13,;50.4,-4.67,;49.05,-5.42,;47.73,-4.63,;47.75,-3.1,;46.39,-5.38,;46.36,-6.93,;47.68,-7.71,;49.1,-7.11,;50.12,-8.26,;49.33,-9.59,;49.78,-11.06,;48.73,-12.19,;47.23,-11.85,;46.78,-10.38,;47.82,-9.25,;45.06,-4.6,;43.72,-5.35,;43.7,-6.88,;42.39,-4.56,;42.42,-3.02,;43.76,-2.26,;43.79,-.73,;45.13,.02,;45.15,1.56,;43.83,2.35,;46.5,2.31,;41.05,-5.3,;39.73,-4.52,;39.75,-2.98,;38.39,-5.27,;38.36,-6.81,;39.68,-7.6,;41.03,-6.85,;42.35,-7.64,;42.32,-9.17,;40.99,-9.92,;39.67,-9.13,;37.07,-4.48,;35.72,-5.23,;35.69,-6.77,;34.4,-4.44,;34.5,-2.89,;32.86,-2.53,;32.18,-1,;32.01,-3.98,;33.12,-5.25,;32.26,-6.52,;32.92,-7.91,;51.72,-5.46,;53.07,-4.71,;51.7,-7,)|
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
UniProtKB/SwissProt

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3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389779
PNG
(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 |r,wU:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)|
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
UniProtKB/SwissProt

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3.40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50358565
PNG
(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 |r,wU:4.4,48.48,58.59,73.76,84.87,95.99,114.118,12.21,wD:103.107,24.25,8.8,(4.96,-14.18,;3.63,-14.95,;3.63,-16.49,;2.3,-17.26,;2.3,-18.8,;.96,-19.58,;-.38,-18.8,;-.38,-17.26,;-1.71,-19.58,;-3.05,-18.8,;-4.39,-19.58,;-4.39,-21.11,;-5.72,-18.8,;-5.72,-17.26,;-4.39,-16.49,;-3.05,-17.26,;-1.71,-16.49,;-1.71,-14.95,;-.38,-14.17,;-3.05,-14.17,;-4.39,-14.95,;-7.06,-19.58,;-8.39,-18.81,;-8.4,-17.28,;-9.72,-19.59,;-11.06,-18.82,;-9.72,-21.12,;-8.38,-21.89,;-8.38,-23.43,;-7.04,-24.19,;-7.04,-25.73,;-5.7,-26.49,;-5.7,-28.03,;-4.37,-25.72,;-3.04,-26.48,;-1.71,-25.71,;-.38,-26.47,;.95,-27.24,;-1.71,-21.11,;-.38,-21.89,;-3.05,-21.89,;3.63,-19.58,;3.63,-21.11,;4.97,-18.8,;6.3,-19.58,;7.63,-18.8,;7.63,-17.26,;8.98,-19.58,;10.31,-18.8,;10.31,-17.26,;11.65,-16.49,;13.12,-16.94,;14.01,-15.69,;13.08,-14.45,;11.63,-14.94,;11.65,-19.58,;11.65,-21.11,;12.98,-18.8,;14.32,-19.58,;14.32,-21.11,;13.54,-22.44,;12.01,-22.42,;11.23,-23.74,;11.99,-25.07,;11.21,-26.4,;11.98,-27.74,;13.52,-27.74,;14.29,-26.41,;13.53,-25.08,;14.3,-23.76,;15.66,-18.8,;15.66,-17.26,;16.99,-19.58,;18.32,-18.8,;18.32,-17.26,;19.67,-16.49,;19.67,-14.95,;21,-14.17,;21,-12.63,;19.67,-11.86,;22.33,-11.86,;19.67,-19.58,;19.67,-21.11,;21,-18.8,;22.33,-19.58,;22.33,-21.11,;23.67,-21.89,;25.01,-21.11,;26.35,-21.89,;26.35,-23.43,;25.01,-24.21,;23.67,-23.43,;23.67,-18.8,;23.67,-17.26,;25.01,-19.58,;26.35,-18.8,;26.35,-17.26,;27.68,-16.49,;29.01,-17.26,;27.68,-14.95,;27.68,-19.58,;27.68,-21.11,;29.01,-18.8,;30.36,-19.58,;30.36,-21.11,;31.69,-21.89,;31.69,-23.43,;33.02,-24.21,;33.02,-25.74,;31.69,-26.52,;34.36,-26.52,;31.69,-18.8,;31.69,-17.26,;33.02,-19.58,;34.36,-18.8,;34.36,-17.26,;35.69,-16.49,;37.04,-17.26,;38.37,-16.49,;38.37,-14.95,;37.04,-14.17,;35.69,-14.95,;35.69,-19.58,;35.69,-21.11,;37.04,-18.8,;38.37,-19.58,;39.7,-18.8,;41.04,-19.58,;39.7,-17.26,)|
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
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3.90n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389772
PNG
(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 |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
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
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4.30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105880
PNG
(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
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4.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389770
PNG
(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 |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)|
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
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5.10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150835
PNG
(4-[N''-(2-Amino-2-methyl-propyl)-N''''-cyclohexyl-...)
Show SMILES CC(C)(N)CNC(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:27.29|
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)
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5.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150837
PNG
(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 |w:29.32|
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
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5.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50114079
PNG
(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 |r|
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)
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7n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells


J Med Chem 45: 2644-50 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75B3
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1
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9.90n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389776
PNG
(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 |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(31.22,-50.1,;32.02,-48.78,;31.27,-47.43,;32.07,-46.11,;31.31,-44.76,;29.78,-44.74,;29.03,-43.4,;29.82,-42.07,;27.49,-43.37,;26.7,-44.69,;25.15,-44.66,;26.74,-42.02,;27.53,-40.7,;29.07,-40.73,;26.78,-39.36,;25.24,-39.33,;24.45,-40.65,;25.05,-42.07,;23.89,-43.08,;22.57,-42.29,;22.92,-40.79,;27.57,-38.04,;26.82,-36.68,;25.29,-36.66,;27.61,-35.37,;29.16,-35.4,;29.95,-34.07,;31.49,-34.1,;32.23,-35.44,;32.28,-32.78,;26.87,-34.02,;27.66,-32.7,;29.2,-32.73,;26.91,-31.36,;27.7,-30.03,;29.24,-30.06,;25.37,-31.33,;24.62,-29.98,;25.41,-28.66,;23.08,-29.96,;22.33,-28.61,;23.13,-27.29,;24.67,-27.32,;22.38,-25.94,;23.18,-24.62,;24.72,-24.65,;25.46,-26,;27,-26.03,;27.75,-27.37,;29.29,-27.4,;30.08,-26.08,;31.62,-26.11,;32.37,-27.45,;32.41,-24.79,;33.95,-24.81,;34.7,-26.16,;36.24,-26.19,;36.99,-27.54,;38.53,-27.56,;39.27,-28.91,;40.81,-28.94,;41.56,-30.28,;43.1,-30.31,;43.89,-28.99,;43.15,-27.64,;43.94,-26.33,;43.19,-24.98,;43.99,-23.66,;43.24,-22.31,;41.7,-22.12,;41.42,-20.62,;42.75,-19.86,;43.89,-20.93,;32.11,-43.45,;31.36,-42.1,;33.65,-43.47,;34.44,-42.15,;33.86,-40.72,;34.91,-39.09,;34.89,-30.78,;33.8,-29.7,;56.88,-30.73,;56.84,-35.93,;55.5,-36.68,;55.47,-38.22,;54.13,-38.97,;54.11,-40.51,;52.76,-41.26,;51.44,-40.47,;51.46,-38.94,;50.1,-41.22,;50.07,-42.77,;51.39,-43.55,;52.81,-42.95,;53.83,-44.1,;53.04,-45.43,;53.49,-46.9,;52.44,-48.03,;50.94,-47.69,;50.49,-46.22,;51.53,-45.09,;48.77,-40.44,;47.43,-41.19,;47.41,-42.72,;46.1,-40.4,;46.13,-38.86,;47.47,-38.1,;47.5,-36.57,;48.84,-35.82,;48.86,-34.28,;47.54,-33.49,;50.21,-33.53,;44.76,-41.14,;43.44,-40.36,;43.46,-38.82,;42.1,-41.11,;42.07,-42.65,;43.39,-43.44,;44.74,-42.69,;46.06,-43.48,;46.03,-45.01,;44.7,-45.76,;43.38,-44.97,;40.78,-40.32,;39.43,-41.07,;39.4,-42.61,;38.11,-40.28,;38.21,-38.73,;36.57,-38.37,;35.89,-36.84,;35.72,-39.82,;36.83,-41.09,;35.97,-42.36,;36.63,-43.75,;55.43,-41.3,;56.78,-40.55,;55.41,-42.84,)|
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
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10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150829
PNG
(4-[(N-Cyclohexyl-3,5-dimethyl-piperazine-1-carboxi...)
Show SMILES CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
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)
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389782
PNG
(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 |r,wU:45.48,36.42,88.89,138.148,127.131,116.120,98.152,wD:26.33,8.22,4.4,102.104,140.145,(43.48,-56.24,;44.27,-54.92,;43.52,-53.57,;44.32,-52.25,;43.57,-50.9,;42.03,-50.9,;41.29,-49.51,;42.07,-48.21,;39.75,-49.51,;38.96,-50.82,;39.7,-52.17,;38.91,-53.49,;39.65,-54.84,;37.37,-53.49,;36.57,-54.78,;35.03,-54.78,;34.29,-53.4,;35.08,-52.08,;32.75,-53.4,;37.32,-56.13,;36.52,-57.45,;34.98,-57.45,;37.27,-58.8,;39,-48.16,;39.79,-46.84,;41.33,-46.84,;39.04,-45.49,;37.5,-45.49,;36.71,-46.79,;37.31,-48.2,;36.15,-49.22,;34.83,-48.43,;35.17,-46.93,;39.83,-44.17,;39.08,-42.82,;37.54,-42.82,;39.87,-41.51,;41.41,-41.51,;42.21,-40.23,;43.74,-40.23,;44.49,-41.58,;44.54,-38.92,;39.12,-40.16,;39.91,-38.84,;41.46,-38.84,;39.17,-37.5,;39.96,-36.17,;41.5,-36.17,;37.63,-37.5,;36.88,-36.12,;37.67,-34.8,;35.34,-36.12,;34.59,-34.75,;35.39,-33.43,;36.93,-33.43,;34.64,-32.08,;35.43,-30.76,;36.97,-30.76,;37.72,-32.14,;39.26,-32.14,;40.01,-33.51,;41.54,-33.51,;42.34,-32.24,;43.88,-32.24,;44.62,-33.59,;44.67,-30.92,;46.21,-30.92,;46.96,-32.3,;48.5,-32.3,;49.24,-33.67,;50.78,-33.67,;51.53,-35.05,;53.07,-35.05,;53.82,-36.42,;55.36,-36.42,;56.15,-35.13,;55.4,-33.78,;56.2,-32.46,;55.45,-31.11,;56.24,-29.79,;55.5,-28.45,;53.96,-28.26,;53.67,-26.76,;55.01,-26,;56.15,-27.06,;44.36,-49.58,;43.61,-48.24,;45.91,-49.58,;46.69,-48.29,;46.12,-46.86,;47.15,-45.23,;47.15,-36.92,;46.06,-35.83,;69.1,-36.92,;69.1,-42.07,;67.73,-42.82,;67.73,-44.36,;66.37,-45.11,;66.37,-46.65,;65.02,-47.4,;63.7,-46.61,;63.7,-45.07,;62.36,-47.36,;62.36,-48.9,;63.65,-49.69,;65.06,-49.08,;66.08,-50.24,;65.29,-51.56,;65.75,-53.03,;64.7,-54.17,;63.2,-53.83,;62.75,-52.35,;63.79,-51.22,;61.03,-46.57,;59.69,-47.32,;59.69,-48.86,;58.36,-46.54,;58.36,-44.99,;59.73,-44.24,;59.73,-42.7,;61.12,-41.95,;61.12,-40.42,;59.8,-39.63,;62.46,-39.66,;57.02,-47.28,;55.69,-46.5,;55.69,-44.96,;54.35,-47.24,;54.35,-48.79,;55.65,-49.58,;57,-48.82,;58.32,-49.61,;58.32,-51.15,;56.95,-51.9,;55.65,-51.11,;53.03,-46.45,;51.69,-47.21,;51.69,-48.74,;50.37,-46.42,;50.47,-44.86,;48.83,-44.51,;48.15,-42.98,;47.98,-45.95,;49.09,-47.22,;48.22,-48.5,;48.89,-49.88,;67.69,-47.44,;69.03,-46.69,;67.69,-48.98,)|
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
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13n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50261228
PNG
(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 |r|
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
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cells


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
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 |wU:4.4,79.84,65.68,54.57,wD:35.37,8.8,39.40,98.103,87.92,12.12,(2.89,-5.82,;3.92,-6.96,;3.45,-8.43,;4.48,-9.57,;4,-11.03,;2.49,-11.35,;1.46,-10.21,;1.94,-8.75,;-.04,-10.53,;-1.07,-9.39,;-2.58,-9.71,;-3.06,-11.17,;-3.61,-8.56,;-3.13,-7.1,;-5.12,-8.88,;-6.15,-7.74,;-5.67,-6.27,;-6.7,-5.13,;-8.21,-5.45,;-9.24,-4.3,;-8.68,-6.91,;-7.65,-8.06,;-.52,-12,;.51,-13.14,;-2.03,-12.32,;5.03,-12.18,;4.55,-13.64,;6.54,-11.86,;7.57,-13,;9.07,-12.68,;9.55,-11.22,;10.1,-13.83,;9.78,-15.33,;11.12,-16.1,;12.26,-15.07,;11.64,-13.67,;12.41,-12.33,;13.95,-12.33,;11.64,-11,;12.41,-9.67,;11.64,-8.33,;10.1,-8.33,;9.33,-9.67,;7.79,-9.67,;7.02,-8.33,;5.48,-8.33,;4.71,-7,;5.48,-5.66,;7.02,-5.66,;7.79,-7,;9.33,-7,;13.95,-9.67,;13.78,-8.13,;14.72,-11,;16.26,-11,;17.03,-9.67,;16.26,-8.33,;14.72,-8.33,;13.95,-7,;14.72,-5.66,;13.95,-4.33,;16.26,-5.66,;17.03,-12.33,;16.26,-13.67,;18.57,-12.33,;19.34,-11,;18.57,-9.67,;19.34,-8.33,;20.87,-8.17,;21.19,-6.66,;19.85,-5.89,;19.53,-4.39,;18.07,-3.91,;16.92,-4.94,;17.24,-6.45,;18.71,-6.92,;20.88,-11,;21.65,-9.67,;21.65,-12.33,;23.19,-12.33,;23.96,-11,;25.5,-11,;26.27,-9.67,;26.27,-12.33,;23.96,-13.67,;23.19,-15,;25.5,-13.67,;26.27,-15,;25.5,-16.33,;23.96,-16.33,;23.19,-17.67,;23.96,-19,;23.19,-20.33,;23.96,-21.67,;21.65,-20.33,;27.81,-15,;28.58,-13.67,;28.58,-16.33,;30.12,-16.33,;30.89,-17.67,;30.12,-19,;28.58,-19,;27.81,-20.33,;28.58,-21.67,;30.12,-21.67,;30.89,-20.33,;30.89,-15,;32.43,-15,;30.12,-13.67,;30.89,-12.33,;30.12,-11,;28.58,-11,;30.89,-9.67,)|
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50389774
PNG
(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 |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
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
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15n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105887
PNG
(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 |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)|
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
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
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 |wU:42.44,8.22,87.92,wD:79.84,32.33,64.67,98.103,12.13,53.56,4.3,(.12,-14.56,;-1.22,-13.8,;-1.21,-12.3,;-2.57,-11.56,;-2.54,-10.05,;-3.91,-9.29,;-5.27,-10.03,;-5.27,-11.53,;-6.6,-9.26,;-7.96,-10.02,;-9.3,-9.26,;-9.3,-7.76,;-10.66,-10,;-11.99,-9.23,;-10.69,-11.5,;-9.33,-12.24,;-9.33,-13.76,;-7.99,-14.51,;-6.64,-13.77,;-5.3,-14.54,;-6.63,-12.27,;-7.97,-11.52,;-6.6,-7.77,;-5.24,-7.04,;-7.94,-7.01,;-1.19,-9.31,;-1.18,-7.8,;.15,-10.05,;1.51,-9.32,;2.85,-10.08,;2.84,-11.59,;4.21,-9.34,;5.54,-10.08,;5.54,-11.6,;6.89,-12.35,;8.32,-11.76,;9.34,-12.89,;8.55,-14.17,;7.05,-13.86,;6.9,-9.36,;6.92,-7.86,;8.26,-10.13,;9.62,-9.37,;9.6,-7.87,;10.7,-6.81,;10.28,-5.37,;11.38,-4.29,;12.89,-4.68,;13.29,-6.13,;12.21,-7.19,;10.96,-10.11,;10.93,-11.6,;12.31,-9.37,;13.66,-10.13,;13.66,-11.63,;14.99,-12.38,;14.98,-13.88,;16.32,-14.65,;16.31,-16.15,;17.66,-16.91,;14.96,-16.89,;15.02,-9.37,;15.02,-7.89,;16.35,-10.14,;17.71,-9.4,;17.73,-7.87,;16.95,-6.53,;15.41,-6.53,;14.62,-5.19,;15.39,-3.84,;14.62,-2.5,;15.39,-1.14,;16.95,-1.14,;17.73,-2.5,;16.95,-3.84,;17.73,-5.17,;19.08,-10.14,;19.07,-11.64,;20.43,-9.4,;21.77,-10.17,;21.77,-11.67,;23.11,-12.43,;24.47,-11.67,;23.11,-13.93,;23.13,-9.43,;23.13,-7.93,;24.47,-10.19,;25.83,-9.43,;25.83,-7.94,;27.21,-7.21,;27.22,-5.7,;28.57,-4.97,;28.58,-3.46,;29.93,-2.72,;27.24,-2.7,;27.18,-10.2,;27.16,-11.7,;28.52,-9.46,;29.89,-10.22,;29.88,-11.73,;31.22,-12.48,;32.57,-11.75,;33.92,-12.49,;33.92,-14,;32.55,-14.74,;31.21,-13.97,;31.24,-9.48,;31.25,-7.98,;32.58,-10.22,;33.94,-9.51,;35.28,-10.25,;36.64,-9.51,;35.28,-11.76,)|
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50389769
PNG
(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 |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)|
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
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17n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150830
PNG
(4-[(N-Cyclohexyl-piperazine-1-carboximidoyl)-amino...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCNCC3)cc2)c(Cl)c1 |w:16.16|
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)
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105876
PNG
(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
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105892
PNG
(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
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20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150833
PNG
(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 |w:28.31|
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
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21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105882
PNG
(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 |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)|
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
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22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50105890
PNG
(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
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50165933
PNG
(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
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25n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50150836
PNG
(4-(N''-Cyclohexyl-N''''-pyrrolidin-3-yl-guanidino)...)
Show SMILES Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
Show InChI InChI=1S/C26H33Cl2N5O/c27-20-9-6-18(24(28)16-20)12-15-30-25(34)19-7-10-22(11-8-19)32-26(33-23-13-14-29-17-23)31-21-4-2-1-3-5-21/h6-11,16,21,23,29H,1-5,12-15,17H2,(H,30,34)(H2,31,32,33)
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK-293 cells


J Med Chem 47: 4083-8 (2004)


Article DOI: 10.1021/jm0400496
BindingDB Entry DOI: 10.7270/Q2JH3KM0
More data for this
Ligand-Target Pair
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