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Compile Data Set for Download or QSAR

Found 626 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 1'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 1


(Mus musculus)
BDBM50138289
PNG
((R)-15-(2-Amino-hexanoylamino)-9-benzyl-6-(3-guani...)
Show SMILES CCCC[C@H](N)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](CC2C=NC=N2)NC1=O)C(O)=O
Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,30,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t30?,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115293
PNG
(CHEMBL436773 | DOTA-ReCCEHdFRWCKPV-OH)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O
Show InChI InChI=1S/C75H110N24O21S3.O.Re/c1-41(2)59(73(119)120)92-65(114)53-17-10-22-99(53)72(118)49(16-9-21-82-75(78)79)87-67(116)70(122)93-64(113)51(32-43-34-83-46-14-7-6-13-45(43)46)89-60(109)47(15-8-20-81-74(76)77)85-62(111)50(31-42-11-4-3-5-12-42)88-63(112)52(33-44-35-80-40-84-44)90-61(110)48(18-19-55(101)102)86-66(115)71(123)94-68(117)69(121)91-54(100)36-95-23-25-96(37-56(103)104)27-29-98(39-58(107)108)30-28-97(26-24-95)38-57(105)106;;/h3-7,11-14,34-35,40-41,47-53,59,69-71,83H,8-10,15-33,36-39H2,1-2H3,(H27,76,77,78,79,80,81,82,84,85,86,87,88,89,90,91,92,93,94,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,69?,70?,71?;;/m0../s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354719
PNG
(CHEMBL1834391)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354718
PNG
(CHEMBL1834392)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
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
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354717
PNG
(CHEMBL1834393)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C92H135N25O25/c1-4-5-18-62(105-89(140)71(52-119)111-86(137)67(41-56-23-25-59(120)26-24-56)108-88(139)70(51-118)103-74(122)47-113-32-34-114(48-76(125)126)36-38-116(50-78(129)130)39-37-115(35-33-113)49-77(127)128)82(133)106-64(27-28-75(123)124)84(135)110-69(43-58-45-97-53-101-58)87(138)107-66(40-55-15-7-6-8-16-55)85(136)104-63(21-13-30-98-92(95)96)83(134)109-68(42-57-44-99-61-19-10-9-17-60(57)61)81(132)100-46-73(121)102-65(20-11-12-29-93)91(142)117-31-14-22-72(117)90(141)112-79(54(2)3)80(94)131/h6-10,15-17,19,23-26,44-45,53-54,62-72,79,99,118-120H,4-5,11-14,18,20-22,27-43,46-52,93H2,1-3H3,(H2,94,131)(H,97,101)(H,100,132)(H,102,121)(H,103,122)(H,104,136)(H,105,140)(H,106,133)(H,107,138)(H,108,139)(H,109,134)(H,110,135)(H,111,137)(H,112,141)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,95,96,98)/t62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,79-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50326435
PNG
(CHEMBL1240919)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O
Show InChI InChI=1S/C93H135N31O23S3/c1-47(2)74(75(95)132)123-89(146)69-22-13-33-124(69)90(147)59(21-12-32-105-93(100)101)113-87(144)67(44-149)121-83(140)62(36-50-40-106-54-17-7-6-16-53(50)54)116-79(136)57(20-11-31-104-92(98)99)111-81(138)60(34-48-14-4-3-5-15-48)114-84(141)63(37-51-41-102-46-108-51)117-80(137)58(27-28-72(128)129)112-86(143)66(43-148)122-88(145)68(45-150)120-78(135)55(18-8-9-29-94)109-70(126)38-64-85(142)115-61(35-49-23-25-52(125)26-24-49)82(139)119-65(39-73(130)131)76(133)107-42-71(127)110-56(77(134)118-64)19-10-30-103-91(96)97/h3-7,14-17,23-26,40-41,46-47,55-69,74,106,125,148-150H,8-13,18-22,27-39,42-45,94H2,1-2H3,(H2,95,132)(H,102,108)(H,107,133)(H,109,126)(H,110,127)(H,111,138)(H,112,143)(H,113,144)(H,114,141)(H,115,142)(H,116,136)(H,117,137)(H,118,134)(H,119,139)(H,120,135)(H,121,140)(H,122,145)(H,123,146)(H,128,129)(H,130,131)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t55-,56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Displacement of [125I]-(Tyr2)-NDP-MSH from MC1 receptor in mouse B16/F1 cells


Bioorg Med Chem 18: 6695-700 (2010)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354716
PNG
(CHEMBL1834394)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C111H167FN30O26/c1-4-5-27-77(127-106(165)86(67-144)133-103(162)82(56-71-33-35-74(145)36-34-71)130-105(164)85(66-143)118-41-18-6-7-21-46-142-87-31-12-9-16-39-111(112,96(87)135-136-142)109(168)120-43-20-19-42-119-90(147)62-137-47-49-138(63-92(150)151)51-53-140(65-94(154)155)54-52-139(50-48-137)64-93(152)153)99(158)128-79(37-38-91(148)149)101(160)132-84(58-73-60-117-68-124-73)104(163)129-81(55-70-24-10-8-11-25-70)102(161)126-78(30-22-44-121-110(115)116)100(159)131-83(57-72-59-122-76-28-14-13-26-75(72)76)98(157)123-61-89(146)125-80(29-15-17-40-113)108(167)141-45-23-32-88(141)107(166)134-95(69(2)3)97(114)156/h8,10-11,13-14,24-26,28,33-36,59-60,68-69,77-86,88,95,118,122,143-145H,4-7,9,12,15-23,27,29-32,37-58,61-67,113H2,1-3H3,(H2,114,156)(H,117,124)(H,119,147)(H,120,168)(H,123,157)(H,125,146)(H,126,161)(H,127,165)(H,128,158)(H,129,163)(H,130,164)(H,131,159)(H,132,160)(H,133,162)(H,134,166)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H4,115,116,121)/t77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,88-,95-,111?/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115292
PNG
(CHEMBL438180 | DOTA-ReCCEHdFRWCKPVD-OH)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C79H115N25O24S3.O.Re/c1-42(2)62(69(122)95-54(77(127)128)34-58(108)109)97-68(121)55-17-10-22-104(55)76(126)50(16-9-21-86-79(82)83)91-71(124)74(130)98-67(120)52(32-44-35-87-47-14-7-6-13-46(44)47)93-63(116)48(15-8-20-85-78(80)81)89-65(118)51(31-43-11-4-3-5-12-43)92-66(119)53(33-45-36-84-41-88-45)94-64(117)49(18-19-57(106)107)90-70(123)75(131)99-72(125)73(129)96-56(105)37-100-23-25-101(38-59(110)111)27-29-103(40-61(114)115)30-28-102(26-24-100)39-60(112)113;;/h3-7,11-14,35-36,41-42,48-55,62,73-75,87H,8-10,15-34,37-40H2,1-2H3,(H29,80,81,82,83,84,85,86,88,89,90,91,92,93,94,95,96,97,98,99,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,127,128,129,130,131);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,55?,62?,73?,74?,75?;;/m0../s1
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n/an/a 0.790n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354715
PNG
(CHEMBL1834395)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C107H160FN29O24/c1-4-5-27-74(123-102(158)83(64-139)129-99(155)79(54-68-33-35-71(140)36-34-68)126-101(157)82(63-138)114-41-18-6-7-21-46-137-84-31-12-9-16-39-107(108,92(84)131-132-137)105(161)116-43-20-19-42-115-87(142)60-133-47-49-134(61-89(145)146)51-52-135(50-48-133)62-90(147)148)95(151)124-76(37-38-88(143)144)97(153)128-81(56-70-58-113-65-120-70)100(156)125-78(53-67-24-10-8-11-25-67)98(154)122-75(30-22-44-117-106(111)112)96(152)127-80(55-69-57-118-73-28-14-13-26-72(69)73)94(150)119-59-86(141)121-77(29-15-17-40-109)104(160)136-45-23-32-85(136)103(159)130-91(66(2)3)93(110)149/h8,10-11,13-14,24-26,28,33-36,57-58,65-66,74-83,85,91,114,118,138-140H,4-7,9,12,15-23,27,29-32,37-56,59-64,109H2,1-3H3,(H2,110,149)(H,113,120)(H,115,142)(H,116,161)(H,119,150)(H,121,141)(H,122,154)(H,123,158)(H,124,151)(H,125,156)(H,126,157)(H,127,152)(H,128,153)(H,129,155)(H,130,159)(H,143,144)(H,145,146)(H,147,148)(H4,111,112,117)/t74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,85-,91-,107?/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115291
PNG
(CHEMBL269739 | DOTA-ReCCEHdFRWCKPV-NH2)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C75H111N23O20S3.O.Re/c1-42(2)60(61(77)108)91-67(114)54-18-11-23-98(54)74(118)50(16-8-9-21-76)86-69(116)72(120)92-66(113)52(33-44-35-82-47-15-7-6-14-46(44)47)88-62(109)48(17-10-22-81-75(78)79)84-64(111)51(32-43-12-4-3-5-13-43)87-65(112)53(34-45-36-80-41-83-45)89-63(110)49(19-20-56(100)101)85-68(115)73(121)93-70(117)71(119)90-55(99)37-94-24-26-95(38-57(102)103)28-30-97(40-59(106)107)31-29-96(27-25-94)39-58(104)105;;/h3-7,12-15,35-36,41-42,48-54,60,71-73,82H,8-11,16-34,37-40,76H2,1-2H3,(H24,77,78,79,80,81,83,84,85,86,87,88,89,90,91,92,93,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,60?,71?,72?,73?;;/m0../s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115290
PNG
(CHEMBL436858 | DOTA-ReCCEHdFRWCRPV-NH2)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C75H111N25O20S3.O.Re/c1-41(2)59(60(76)110)93-66(116)53-17-10-22-100(53)73(120)49(16-9-21-83-75(79)80)88-68(118)71(122)94-65(115)51(32-43-34-84-46-14-7-6-13-45(43)46)90-61(111)47(15-8-20-82-74(77)78)86-63(113)50(31-42-11-4-3-5-12-42)89-64(114)52(33-44-35-81-40-85-44)91-62(112)48(18-19-55(102)103)87-67(117)72(123)95-69(119)70(121)92-54(101)36-96-23-25-97(37-56(104)105)27-29-99(39-58(108)109)30-28-98(26-24-96)38-57(106)107;;/h3-7,11-14,34-35,40-41,47-53,59,70-72,84H,8-10,15-33,36-39H2,1-2H3,(H28,76,77,78,79,80,81,82,83,85,86,87,88,89,90,91,92,93,94,95,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,70?,71?,72?;;/m0../s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115294
PNG
(Ac-Lys(DOTA)-ReCCEHdFRWCKPV-NH2 | CHEMBL413451)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)C(CCCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)NC(C)=O)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C91H131N25O24S3.O.Re/c1-53(2)74(75(92)127)108-82(134)68-27-17-33-116(68)89(138)64(25-13-15-31-98-91(139)140-51-56-20-8-5-9-21-56)104-84(136)86(141)110-81(133)66(43-57-45-99-60-23-11-10-22-59(57)60)106-76(128)62(26-16-32-97-90(93)94)102-79(131)65(42-55-18-6-4-7-19-55)105-80(132)67(44-58-46-95-52-100-58)107-77(129)63(28-29-70(119)120)103-83(135)87(142)111-85(137)88(143)109-78(130)61(101-54(3)117)24-12-14-30-96-69(118)47-112-34-36-113(48-71(121)122)38-40-115(50-73(125)126)41-39-114(37-35-112)49-72(123)124;;/h4-11,18-23,45-46,52-53,61-68,74,86-88,99H,12-17,24-44,47-51H2,1-3H3,(H27,92,93,94,95,96,97,98,100,101,102,103,104,105,106,107,108,109,110,111,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,139,141,142,143);;/q;-1;+3/p-4/t61?,62?,63?,64?,65-,66?,67?,68?,74?,86?,87?,88?;;/m0../s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164797
PNG
(CHEMBL3797808)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C108H141N33O21/c1-62(142)128-78(48-67-52-114-60-126-67)98(154)133-76(44-63-20-4-2-5-21-63)96(152)131-74(29-13-37-117-108(112)113)95(151)135-80(47-66-51-119-72-27-11-9-25-70(66)72)106(162)141-43-19-35-86(141)105(161)125-59-92(148)140-42-18-34-85(140)104(160)124-58-91(147)139-41-17-33-84(139)103(159)123-57-90(146)138-40-16-32-83(138)102(158)122-56-89(145)137-39-15-31-82(137)101(157)121-55-88(144)136-38-14-30-81(136)100(156)120-54-87(143)129-79(49-68-53-115-61-127-68)99(155)134-77(45-64-22-6-3-7-23-64)97(153)130-73(28-12-36-116-107(110)111)94(150)132-75(93(109)149)46-65-50-118-71-26-10-8-24-69(65)71/h2-11,20-27,50-53,60-61,73-86,118-119H,12-19,28-49,54-59H2,1H3,(H2,109,149)(H,114,126)(H,115,127)(H,120,156)(H,121,157)(H,122,158)(H,123,159)(H,124,160)(H,125,161)(H,128,142)(H,129,143)(H,130,153)(H,131,152)(H,132,150)(H,133,154)(H,134,155)(H,135,151)(H4,110,111,116)(H4,112,113,117)
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n/an/a 28n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164804
PNG
(CHEMBL3798421)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C80H107N23O15/c1-50(104)96-67(40-55-44-86-48-94-55)77(113)101-64(36-51-16-4-2-5-17-51)75(111)99-62(25-13-27-91-80(84)85)74(110)103-66(39-54-43-93-60-23-11-9-21-58(54)60)72(108)89-29-15-31-116-33-35-117-34-32-115-30-14-28-88-69(105)46-118-47-70(106)97-68(41-56-45-87-49-95-56)78(114)102-65(37-52-18-6-3-7-19-52)76(112)98-61(24-12-26-90-79(82)83)73(109)100-63(71(81)107)38-53-42-92-59-22-10-8-20-57(53)59/h2-11,16-23,42-45,48-49,61-68,92-93H,12-15,24-41,46-47H2,1H3,(H2,81,107)(H,86,94)(H,87,95)(H,88,105)(H,89,108)(H,96,104)(H,97,106)(H,98,112)(H,99,111)(H,100,109)(H,101,113)(H,102,114)(H,103,110)(H4,82,83,90)(H4,84,85,91)/t61-,62-,63-,64+,65+,66-,67-,68-/s2
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n/an/a 69n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164803
PNG
(CHEMBL3799955)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C94H133N25O21/c1-62(120)112-79(50-67-54-100-60-110-67)91(131)117-76(46-63-18-4-2-5-19-63)89(129)115-74(27-13-29-107-94(98)99)88(128)119-78(49-66-53-109-72-25-11-9-23-70(66)72)86(126)105-33-17-37-136-41-45-138-44-40-134-35-15-31-103-82(122)57-139-56-81(121)102-30-14-34-133-38-42-137-43-39-135-36-16-32-104-83(123)58-140-59-84(124)113-80(51-68-55-101-61-111-68)92(132)118-77(47-64-20-6-3-7-21-64)90(130)114-73(26-12-28-106-93(96)97)87(127)116-75(85(95)125)48-65-52-108-71-24-10-8-22-69(65)71/h2-11,18-25,52-55,60-61,73-80,108-109H,12-17,26-51,56-59H2,1H3,(H2,95,125)(H,100,110)(H,101,111)(H,102,121)(H,103,122)(H,104,123)(H,105,126)(H,112,120)(H,113,124)(H,114,130)(H,115,129)(H,116,127)(H,117,131)(H,118,132)(H,119,128)(H4,96,97,106)(H4,98,99,107)/t73-,74-,75-,76+,77+,78-,79-,80-/s2
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n/an/a 131n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50134495
PNG
(1'-[3-(4-chlorophenyl)-2-[(3R)-1,2-dihydro-3-isoqu...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c2ccccc12
Show InChI InChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27-,28-/m1/s1
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n/an/a 153n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164799
PNG
(CHEMBL3797690)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O
Show InChI InChI=1/C48H69N13O11/c1-32(62)58-41(26-35-28-52-31-57-35)47(68)60-39(24-33-10-3-2-4-11-33)46(67)59-38(14-7-15-55-48(50)51)45(66)61-40(25-34-27-56-37-13-6-5-12-36(34)37)44(65)54-17-9-19-70-21-23-71-22-20-69-18-8-16-53-43(64)30-72-29-42(49)63/h2-6,10-13,27-28,31,38-41,56H,7-9,14-26,29-30H2,1H3,(H2,49,63)(H,52,57)(H,53,64)(H,54,65)(H,58,62)(H,59,67)(H,60,68)(H,61,66)(H4,50,51,55)/t38-,39+,40-,41-/s2
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n/an/a 178n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164805
PNG
(CHEMBL3798845)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(N)=O
Show InChI InChI=1/C76H103N23O17/c1-44(100)90-52(34-47-36-80-43-89-47)68(109)92-51(32-45-14-3-2-4-15-45)67(108)91-50(18-7-25-81-76(78)79)66(107)93-53(33-46-35-82-49-17-6-5-16-48(46)49)75(116)99-31-13-24-59(99)74(115)88-42-65(106)98-30-12-23-58(98)73(114)87-41-64(105)97-29-11-22-57(97)72(113)86-40-63(104)96-28-10-21-56(96)71(112)85-39-62(103)95-27-9-20-55(95)70(111)84-38-61(102)94-26-8-19-54(94)69(110)83-37-60(77)101/h2-6,14-17,35-36,43,50-59,82H,7-13,18-34,37-42H2,1H3,(H2,77,101)(H,80,89)(H,83,110)(H,84,111)(H,85,112)(H,86,113)(H,87,114)(H,88,115)(H,90,100)(H,91,108)(H,92,109)(H,93,107)(H4,78,79,81)
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n/an/a 225n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=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(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 388n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164800
PNG
(CHEMBL3798768)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C88H111N23O15/c1-54(112)104-75(44-63-48-94-52-102-63)85(121)109-72(40-55-24-26-57-14-2-4-16-59(57)38-55)83(119)107-70(23-11-29-99-88(92)93)82(118)111-74(43-62-47-101-68-21-9-7-19-66(62)68)80(116)97-31-13-33-124-35-37-125-36-34-123-32-12-30-96-77(113)50-126-51-78(114)105-76(45-64-49-95-53-103-64)86(122)110-73(41-56-25-27-58-15-3-5-17-60(58)39-56)84(120)106-69(22-10-28-98-87(90)91)81(117)108-71(79(89)115)42-61-46-100-67-20-8-6-18-65(61)67/h2-9,14-21,24-27,38-39,46-49,52-53,69-76,100-101H,10-13,22-23,28-37,40-45,50-51H2,1H3,(H2,89,115)(H,94,102)(H,95,103)(H,96,113)(H,97,116)(H,104,112)(H,105,114)(H,106,120)(H,107,119)(H,108,117)(H,109,121)(H,110,122)(H,111,118)(H4,90,91,98)(H4,92,93,99)/t69-,70-,71-,72+,73+,74-,75-,76-/s2
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n/an/a 430n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138296
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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n/an/a>600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164806
PNG
(CHEMBL3799563)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C46H67N13O10/c47-14-7-17-66-19-21-68-22-20-67-18-8-16-52-40(60)28-69-29-41(61)56-39(25-33-27-51-30-55-33)45(65)59-38(23-31-9-2-1-3-10-31)44(64)57-36(13-6-15-53-46(49)50)43(63)58-37(42(48)62)24-32-26-54-35-12-5-4-11-34(32)35/h1-5,9-12,26-27,30,36-39,54H,6-8,13-25,28-29,47H2,(H2,48,62)(H,51,55)(H,52,60)(H,56,61)(H,57,64)(H,58,63)(H,59,65)(H4,49,50,53)/t36-,37-,38+,39-/s2
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n/an/a 705n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164802
PNG
(CHEMBL3799408)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O
Show InChI InChI=1/C52H71N13O11/c1-34(66)62-45(28-39-30-56-33-61-39)51(72)64-43(26-35-14-15-36-9-2-3-10-37(36)25-35)50(71)63-42(13-6-16-59-52(54)55)49(70)65-44(27-38-29-60-41-12-5-4-11-40(38)41)48(69)58-18-8-20-74-22-24-75-23-21-73-19-7-17-57-47(68)32-76-31-46(53)67/h2-5,9-12,14-15,25,29-30,33,42-45,60H,6-8,13,16-24,26-28,31-32H2,1H3,(H2,53,67)(H,56,61)(H,57,68)(H,58,69)(H,62,66)(H,63,71)(H,64,72)(H,65,70)(H4,54,55,59)/t42-,43+,44-,45-/s2
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n/an/a 997n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164798
PNG
(CHEMBL3799094)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C74H101N23O16/c75-64(104)50(32-44-34-81-47-16-5-4-15-46(44)47)91-66(106)49(18-7-25-80-74(76)77)90-67(107)51(31-43-13-2-1-3-14-43)92-68(108)52(33-45-35-78-42-88-45)89-58(98)36-82-69(109)53-19-8-26-93(53)60(100)38-84-71(111)55-21-10-28-95(55)62(102)40-86-73(113)57-23-12-30-97(57)63(103)41-87-72(112)56-22-11-29-96(56)61(101)39-85-70(110)54-20-9-27-94(54)59(99)37-83-65(105)48-17-6-24-79-48/h1-5,13-16,34-35,42,48-57,79,81H,6-12,17-33,36-41H2,(H2,75,104)(H,78,88)(H,82,109)(H,83,105)(H,84,111)(H,85,110)(H,86,113)(H,87,112)(H,89,98)(H,90,107)(H,91,106)(H,92,108)(H4,76,77,80)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-/s2
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138300
PNG
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1
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n/an/a>1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138304
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C34H40ClFN4O3/c1-4-40(25(3)41)24(2)30-10-6-8-12-32(30)38-17-19-39(20-18-38)34(43)28(21-26-13-15-29(35)16-14-26)22-33(42)37-23-27-9-5-7-11-31(27)36/h5-16,24,28H,4,17-23H2,1-3H3,(H,37,42)/t24?,28-/m0/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115362
PNG
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32+,33-/m0/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138293
PNG
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)
Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C36H50ClN5O5S/c1-36(2,3)25-34(44)40-19-17-39(18-20-40)33(43)24-29(23-27-11-13-30(37)14-12-27)35(45)41-21-15-38(16-22-41)31-7-5-6-8-32(31)42(48(4,46)47)26-28-9-10-28/h5-8,11-14,28-29H,9-10,15-26H2,1-4H3/t29-/m0/s1
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n/an/a>1.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50164801
PNG
(CHEMBL3798912)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/s2
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n/an/a 1.87E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138295
PNG
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)
Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H40ClN5O4S/c1-41(39,40)36(22-24-6-7-24)28-5-3-2-4-27(28)33-16-18-35(19-17-33)30(38)25(20-23-8-10-26(31)11-9-23)21-29(37)34-14-12-32-13-15-34/h2-5,8-11,24-25,32H,6-7,12-22H2,1H3/t25-/m0/s1
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n/an/a>8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50130013
PNG
((S)-2-Acetylamino-N-[4-(acetyl-methyl-amino)-cyclo...)
Show SMILES CN(C1CCC(CC1)N(CCCCNC(N)=N)C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)=O
Show InChI InChI=1S/C25H40N6O3/c1-18(32)29-23(17-20-9-5-4-6-10-20)24(34)31(16-8-7-15-28-25(26)27)22-13-11-21(12-14-22)30(3)19(2)33/h4-6,9-10,21-23H,7-8,11-17H2,1-3H3,(H,29,32)(H4,26,27,28)/t21?,22?,23-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 2337-40 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50130012
PNG
(CHEMBL75185 | N-{4-[Acetyl-(4-guanidino-butyl)-ami...)
Show SMILES CC(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C25H38N6O2/c1-18(32)30(15-6-5-14-28-25(26)27)21-9-11-22(12-10-21)31(19(2)33)16-13-20-17-29-24-8-4-3-7-23(20)24/h3-4,7-8,17,21-22,29H,5-6,9-16H2,1-2H3,(H4,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 2337-40 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50130011
PNG
((S)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C33H45N5O3/c1-24(39)36-32(22-26-10-4-3-5-11-26)33(41)38(20-9-8-19-34)29-16-14-28(15-17-29)37(25(2)40)21-18-27-23-35-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,35H,8-9,14-22,34H2,1-2H3,(H,36,39)/t28?,29?,32-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 2337-40 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50130014
PNG
((R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C34H47N7O3/c1-24(42)39-32(22-26-10-4-3-5-11-26)33(44)41(20-9-8-19-37-34(35)36)29-16-14-28(15-17-29)40(25(2)43)21-18-27-23-38-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,38H,8-9,14-22H2,1-2H3,(H,39,42)(H4,35,36,37)/t28?,29?,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 2337-40 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138299
PNG
((S)-4-(4-Acetyl-piperazin-1-yl)-2-(4-chloro-benzyl...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H42ClN5O5S/c1-24(39)34-13-17-36(18-14-34)31(40)22-27(21-25-9-11-28(33)12-10-25)32(41)37-19-15-35(16-20-37)29-5-3-4-6-30(29)38(44(2,42)43)23-26-7-8-26/h3-6,9-12,26-27H,7-8,13-23H2,1-2H3/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138288
PNG
(4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C33H44ClN5O6S/c1-3-45-33(42)38-20-16-36(17-21-38)31(40)23-27(22-25-10-12-28(34)13-11-25)32(41)37-18-14-35(15-19-37)29-6-4-5-7-30(29)39(46(2,43)44)24-26-8-9-26/h4-7,10-13,26-27H,3,8-9,14-24H2,1-2H3/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138292
PNG
((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...)
Show SMILES CCCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C33H46ClN5O4S/c1-3-14-35-15-17-37(18-16-35)32(40)24-28(23-26-10-12-29(34)13-11-26)33(41)38-21-19-36(20-22-38)30-6-4-5-7-31(30)39(44(2,42)43)25-27-8-9-27/h4-7,10-13,27-28H,3,8-9,14-25H2,1-2H3/t28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50130014
PNG
((R)-2-Acetylamino-N-(4-{acetyl-[2-(1H-indol-3-yl)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O
Show InChI InChI=1S/C34H47N7O3/c1-24(42)39-32(22-26-10-4-3-5-11-26)33(44)41(20-9-8-19-37-34(35)36)29-16-14-28(15-17-29)40(25(2)43)21-18-27-23-38-31-13-7-6-12-30(27)31/h3-7,10-13,23,28-29,32,38H,8-9,14-22H2,1-2H3,(H,39,42)(H4,35,36,37)/t28?,29?,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 2337-40 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138294
PNG
(4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C35H48ClN5O6S/c1-35(2,3)47-34(44)40-21-17-38(18-22-40)32(42)24-28(23-26-11-13-29(36)14-12-26)33(43)39-19-15-37(16-20-39)30-7-5-6-8-31(30)41(48(4,45)46)25-27-9-10-27/h5-8,11-14,27-28H,9-10,15-25H2,1-4H3/t28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217731
PNG
(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
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630n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217709
PNG
((E)-N-(5-aminopentyl)-N-(2-chloro-3-phenylallyl)-4...)
Show SMILES NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H32ClN3O/c27-23(18-21-10-3-1-4-11-21)20-30(17-8-2-7-16-28)26(31)15-9-12-22-19-29-25-14-6-5-13-24(22)25/h1,3-6,10-11,13-14,18-19,29H,2,7-9,12,15-17,20,28H2/b23-18+
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770n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217783
PNG
((E)-N-(3-aminopropyl)-N-(2-methyl-3-phenylallyl)-1...)
Show SMILES C\C(CN(CCCN)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-17(14-18-8-3-2-4-9-18)16-25(13-7-12-23)22(26)20-15-24-21-11-6-5-10-19(20)21/h2-6,8-11,14-15,24H,7,12-13,16,23H2,1H3/b17-14+
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850n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217735
PNG
(CHEMBL236002 | N-(2-bromo-4,5-dimethoxycinnamyl)-4...)
Show SMILES COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C43H54BrN3O4/c1-50-41-27-32(38(44)28-42(41)51-2)7-6-24-47(34-20-14-30(15-21-34)25-29-12-18-33(45)19-13-29)43(49)11-5-9-37-36-8-3-4-10-39(36)46-40(37)26-31-16-22-35(48)23-17-31/h3-4,6-8,10,16-17,22-23,27-30,33-34,46,48H,5,9,11-15,18-21,24-26,45H2,1-2H3/b7-6+
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940n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217674
PNG
((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...)
Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-
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960n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217634
PNG
((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...)
Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)COc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C34H41ClN2O2/c35-30(21-25-6-2-1-3-7-25)23-37(32-17-12-27(13-18-32)20-26-10-15-31(36)16-11-26)34(38)24-39-33-19-14-28-8-4-5-9-29(28)22-33/h1-9,14,19,21-22,26-27,31-32H,10-13,15-18,20,23-24,36H2/b30-21-
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960n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217744
PNG
(CHEMBL394394 | N-(2-fluorobenzyl)-4-(2-(4-hydroxyb...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1
Show InChI InChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217678
PNG
(CHEMBL235582 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(CC(Br)=C)C(=O)CCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C28H40BrN3O/c1-20(29)19-32(25-15-11-22(12-16-25)17-21-9-13-24(30)14-10-21)28(33)8-4-5-23-18-31-27-7-3-2-6-26(23)27/h2-3,6-7,18,21-22,24-25,31H,1,4-5,8-17,19,30H2
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217656
PNG
((Z)-N-(3-aminopropyl)-N-(2-chloro-3-phenylallyl)-2...)
Show SMILES NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H22ClN3O2/c23-17(13-16-7-2-1-3-8-16)15-26(12-6-11-24)22(28)21(27)19-14-25-20-10-5-4-9-18(19)20/h1-5,7-10,13-14,25H,6,11-12,15,24H2/b17-13-
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50217748
PNG
(CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1
Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
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1.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)

More data for this
Ligand-Target Pair
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