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Compile Data Set for Download or QSAR

Found 4909 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4'   
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 4


(Homo sapiens (Human))
BDBM50121268
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
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](Cc2c[nH]cn2)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+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121267
PNG
(5-(2-Acetylamino-hexanoylamino)-19-[3-(diaminometh...)
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)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C53H71N13O9/c1-3-4-16-39(60-31(2)67)47(70)65-43-29-45(68)57-23-10-9-18-38(46(54)69)61-50(73)42(28-35-30-59-37-17-8-7-15-36(35)37)63-48(71)40(19-11-24-58-53(55)56)62-49(72)41(64-51(74)44-20-12-25-66(44)52(43)75)27-32-21-22-33-13-5-6-14-34(33)26-32/h5-8,13-15,17,21-22,26,30,38-44,59H,3-4,9-12,16,18-20,23-25,27-29H2,1-2H3,(H2,54,69)(H,57,68)(H,60,67)(H,61,73)(H,62,72)(H,63,71)(H,64,74)(H,65,70)(H4,55,56,58)/p+1/t38-,39+,40+,41-,42-,43+,44+/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121266
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
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)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O)C(N)=O
Show InChI InChI=1S/C59H81N13O9/c1-5-6-19-43(66-35(2)73)51(76)71-47-32-49(74)63-27-14-11-21-42(50(60)75)67-54(79)46(31-39-34-65-41-20-10-9-18-40(39)41)69-52(77)44(22-15-28-64-57(61)62)68-53(78)45(30-36-23-24-37-16-7-8-17-38(37)29-36)70-55(80)48-33-58(3)25-12-13-26-59(58,4)72(48)56(47)81/h7-10,16-18,20,23-24,29,34,42-48,65H,5-6,11-15,19,21-22,25-28,30-33H2,1-4H3,(H2,60,75)(H,63,74)(H,66,73)(H,67,79)(H,68,78)(H,69,77)(H,70,80)(H,71,76)(H4,61,62,64)/p+1/t42-,43+,44+,45-,46-,47+,48+,58+,59+/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121261
PNG
(5-(2-Acetylamino-hexanoylamino)-19-[3-(diaminometh...)
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)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C53H73N13O9/c1-3-4-16-39(60-31(2)67)47(70)65-43-29-45(68)57-23-10-9-18-38(46(54)69)61-50(73)42(28-35-30-59-37-17-8-7-15-36(35)37)63-48(71)40(19-11-24-58-53(55)56)62-49(72)41(64-51(74)44-20-12-25-66(44)52(43)75)27-32-21-22-33-13-5-6-14-34(33)26-32/h5-8,13-15,17,21-22,26,30,38-44,51,59,64,74H,3-4,9-12,16,18-20,23-25,27-29H2,1-2H3,(H2,54,69)(H,57,68)(H,60,67)(H,61,73)(H,62,72)(H,63,71)(H,65,70)(H4,55,56,58)/p+1/t38-,39+,40+,41-,42-,43+,44+,51?/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144869
PNG
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O
Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119367
PNG
((3R)-N-[(2R)-3-(4-chlorophenyl)-1-{4-cyclohexyl-4-...)
Show SMILES Cn1nnnc1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-30(37-38-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells


J Med Chem 45: 4589-93 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119367
PNG
((3R)-N-[(2R)-3-(4-chlorophenyl)-1-{4-cyclohexyl-4-...)
Show SMILES Cn1nnnc1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-30(37-38-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human melanocortin 4 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(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
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 0.400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK293 cells; (N = 4)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329956
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C
Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329959
PNG
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)
Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1
Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121258
PNG
(9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminometh...)
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)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1S/C55H75N13O9/c1-3-4-18-41(62-33(2)69)48(72)66-45-31-46(70)59-26-13-10-20-40(47(56)71)63-51(75)44(30-37-32-61-39-19-9-8-17-38(37)39)65-49(73)42(21-14-27-60-54(57)58)64-50(74)43(29-34-22-23-35-15-6-7-16-36(35)28-34)67-53(77)55(68-52(45)76)24-11-5-12-25-55/h6-9,15-17,19,22-23,28,32,40-45,61H,3-5,10-14,18,20-21,24-27,29-31H2,1-2H3,(H2,56,71)(H,59,70)(H,62,69)(H,63,75)(H,64,74)(H,65,73)(H,66,72)(H,67,77)(H,68,76)(H4,57,58,60)/p+1/t40-,41+,42+,43-,44-,45+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119371
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30+/m0/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells


J Med Chem 45: 4589-93 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)
BDBM50373479
PNG
(CHEMBL254757)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C
Show InChI InChI=1S/C31H40Cl3N3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4R


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121259
PNG
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-15-5-6-19-44-34(51)17-18-35(52)47-32(21-25-11-7-10-24-9-1-2-12-27(24)25)38(55)49-31(16-8-20-45-40(42)43)37(54)50-33(39(56)48-30)22-26-23-46-29-14-4-3-13-28(26)29/h1-4,7,9-14,23,30-33,46H,5-6,8,15-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50112984
PNG
(CHEMBL3601428)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1/C58H79N15O9/c1-7-8-19-43(67-35(2)74)52(77)68-45-31-50(75)63-25-14-13-21-46(51(59)76)70(3)57(82)49(29-39-32-65-42-20-12-11-18-41(39)42)73(6)56(81)47(22-15-26-64-58(60)61)71(4)54(79)44(28-36-23-24-37-16-9-10-17-38(37)27-36)69-53(78)48(72(5)55(45)80)30-40-33-62-34-66-40/h9-12,16-18,20,23-24,27,32-34,43-49,65H,7-8,13-15,19,21-22,25-26,28-31H2,1-6H3,(H2,59,76)(H,62,66)(H,63,75)(H,67,74)(H,68,77)(H,69,78)(H4,60,61,64)/t43-,44-,45+,46+,47+,48+,49+/s2
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121264
PNG
(8-(2-Acetylamino-hexanoylamino)-22-[3-(diaminometh...)
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)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H73N13O9/c1-3-4-17-40(61-32(2)68)47(71)65-44-30-45(69)58-25-12-9-19-39(46(55)70)62-50(74)43(29-36-31-60-38-18-8-7-16-37(36)38)64-48(72)41(20-13-26-59-53(56)57)63-49(73)42(28-33-21-22-34-14-5-6-15-35(34)27-33)66-52(76)54(67-51(44)75)23-10-11-24-54/h5-8,14-16,18,21-22,27,31,39-44,60H,3-4,9-13,17,19-20,23-26,28-30H2,1-2H3,(H2,55,70)(H,58,69)(H,61,68)(H,62,74)(H,63,73)(H,64,72)(H,65,71)(H,66,76)(H,67,75)(H4,56,57,59)/p+1/t39-,40+,41+,42-,43-,44+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin-4 receptor


J Med Chem 45: 5287-94 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348579
PNG
(CHEMBL1801215)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168725
PNG
(1-[2-[((R)-3-Amino-1,2,3,4-tetrahydro-naphthalene-...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(27-11-5-4-6-12-27)17-19-41(20-18-36)33(43)31(21-24-13-15-28(37)16-14-24)39-32(42)29-22-25-9-7-8-10-26(25)23-30(29)38/h7-10,13-16,27,29-31H,4-6,11-12,17-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29?,30?,31-/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50268795
PNG
(Ac-Nle-c[Asp-trans-4-guanidinyl-Pro-DPhe-Arg-Trp-L...)
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]2C[C@H](CN2C1=O)N=C(N)N)C(N)=O
Show InChI InChI=1S/C50H72N16O9/c1-3-4-16-35(59-28(2)67)43(70)65-39-25-41(68)56-20-11-10-18-34(42(51)69)61-46(73)38(23-30-26-58-33-17-9-8-15-32(30)33)63-44(71)36(19-12-21-57-49(52)53)62-45(72)37(22-29-13-6-5-7-14-29)64-47(74)40-24-31(60-50(54)55)27-66(40)48(39)75/h5-9,13-15,17,26,31,34-40,58H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,69)(H,56,68)(H,59,67)(H,61,73)(H,62,72)(H,63,71)(H,64,74)(H,65,70)(H4,52,53,57)(H4,54,55,60)/t31-,34+,35+,36+,37-,38+,39+,40+/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against rat Melanocortin-4 receptor (rMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells


J Med Chem 45: 4589-93 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121268
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
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](Cc2c[nH]cn2)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+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179135
PNG
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O
Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC4R by cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50200356
PNG
(Ac-c[Cys-His-D-Phe-Cys]-N-alpha-guanidinylbutyl-D-...)
Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N(CCCCN=C(N)N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H50N12O6S2/c1-23(52)47-31-20-58-59-21-32(38(57)51(14-8-7-13-44-39(41)42)33(34(40)53)16-25-18-45-28-12-6-5-11-27(25)28)50-35(54)29(15-24-9-3-2-4-10-24)48-36(55)30(49-37(31)56)17-26-19-43-22-46-26/h2-6,9-12,18-19,22,29-33,45H,7-8,13-17,20-21H2,1H3,(H2,40,53)(H,43,46)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,44)/t29-,30+,31+,32+,33-/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human MC4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348554
PNG
(CHEMBL1801095)
Show SMILES CN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12
Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 4 receptor (hMC4R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168726
PNG
(1-[(R)-2-[((1R,2R)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30-,31+/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50340458
PNG
(CHEMBL1762009 | Cis-(3S,5R)-N-((R)-1-(4-(tert-buty...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H50ClN5O3/c1-22-20-38(21-23(2)34-22)30(41)35-27(19-24-11-13-26(33)14-12-24)28(39)37-17-15-32(16-18-37,25-9-7-6-8-10-25)29(40)36-31(3,4)5/h11-14,22-23,25,27,34H,6-10,15-21H2,1-5H3,(H,35,41)(H,36,40)/t22-,23+,27-/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC4R by cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329958
PNG
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C
Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348574
PNG
(CHEMBL1801146)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H48ClF2N3O3/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-15-46-16-14-42)9-11-41(12-10-37)33(44)28-22-43(35(2,3)4)21-27(28)25-8-7-24(39)18-32(25)40/h7-8,17-19,27-28,30H,9-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50220703
PNG
((R)-N-((S)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnnc1CC1(CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-30(37-38-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348580
PNG
(CHEMBL1801216)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](O)C1
Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)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[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 4 receptor (hMC4R)


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50323446
PNG
(2-((S)-1'-((3S,4R)-1-tert-butyl-4-(2,4-difluorophe...)
Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C#N
Show InChI InChI=1S/C32H38ClF2N3O2/c1-19-13-22-25(15-26(19)33)32(40-28(22)31(5,6)18-36)9-11-37(12-10-32)29(39)24-17-38(30(2,3)4)16-23(24)21-8-7-20(34)14-27(21)35/h7-8,13-15,23-24,28H,9-12,16-17H2,1-6H3/t23-,24+,28-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179142
PNG
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC4R by cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144869
PNG
(CHEMBL411775 | Tyr-c[Asp-His-DPhe-Arg-Trp-Asn-Ala-...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O
Show InChI InChI=1S/C73H85N21O17/c1-37-62(100)84-52(27-39-13-6-3-7-14-39)68(106)90-61(71(109)94-91-50(60(99)72(110)111)25-40-18-21-44(95)22-19-40)89-59(98)33-57(93-92-56-28-41-20-23-45(96)31-49(41)83-69(56)107)70(108)87-54(30-43-35-77-36-80-43)67(105)85-51(26-38-11-4-2-5-12-38)65(103)82-48(17-10-24-78-73(75)76)63(101)86-53(29-42-34-79-47-16-9-8-15-46(42)47)66(104)88-55(32-58(74)97)64(102)81-37/h2-9,11-16,18-23,31,34-37,48,50-57,61,79,91-93,95-96H,10,17,24-30,32-33H2,1H3,(H2,74,97)(H,77,80)(H,81,102)(H,82,103)(H,83,107)(H,84,100)(H,85,105)(H,86,101)(H,87,108)(H,88,104)(H,89,98)(H,90,106)(H,94,109)(H,110,111)(H4,75,76,78)/t37-,48+,50-,51+,52+,53-,54+,55+,56-,57+,61?/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)
BDBM50373474
PNG
(CHEMBL402769)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C32H41ClF3N3O2/c1-6-29(37-20(2)40)26-17-24(33)11-12-25(26)22-13-15-38(16-14-22)30(41)28-19-39(31(3,4)5)18-27(28)21-7-9-23(10-8-21)32(34,35)36/h7-12,17,22,27-29H,6,13-16,18-19H2,1-5H3,(H,37,40)/t27-,28+,29+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4R


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50323456
PNG
((S)-(6-chloro-5-methyl-3-(2-morpholinopropan-2-yl)...)
Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCOCC1
Show InChI InChI=1S/C36H46ClF2N3O4/c1-23-18-27-30(20-31(23)37)36(46-33(27)35(2,3)42-12-16-45-17-13-42)8-10-40(11-9-36)34(43)29-22-41(25-6-14-44-15-7-25)21-28(29)26-5-4-24(38)19-32(26)39/h4-5,18-20,25,28-29,33H,6-17,21-22H2,1-3H3/t28-,29+,33-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168727
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1-methyl-1,2,3,4-tetrah...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-35(2,3)41-34(45)37(27-11-6-5-7-12-27)20-22-42(23-21-37)33(44)31(24-25-14-17-28(38)18-15-25)40-32(43)30-19-16-26-10-8-9-13-29(26)36(30,4)39/h8-10,13-15,17-18,27,30-31H,5-7,11-12,16,19-24,39H2,1-4H3,(H,40,43)(H,41,45)/t30-,31-,36-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human MC4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348572
PNG
(CHEMBL1801144)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC1
Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50024350
PNG
(CHEMBL2113041)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
Show InChI InChI=1S/C37H51ClN4O3/c1-36(2,3)41-35(45)37(27-12-5-4-6-13-27)20-22-42(23-21-37)34(44)31(24-25-16-18-28(38)19-17-25)40-33(43)30-15-9-11-26-10-7-8-14-29(26)32(30)39/h7-8,10,14,16-19,27,30-32H,4-6,9,11-13,15,20-24,39H2,1-3H3,(H,40,43)(H,41,45)/t30?,31-,32?/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50268806
PNG
(Ac-Tyr-Val-Nle-Gly-His-DPhe-Arg-Trp-Asp-Arg-Phe-Gl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H104N22O16/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)88-41-63(103)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(81)82)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-64(104)105)73(113)93-54(24-15-30-84-76(79)80)68(108)95-56(67(107)87-40-62(78)102)32-45-17-9-7-10-18-45/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41H2,1-4H3,(H2,78,102)(H,83,89)(H,87,107)(H,88,106)(H,90,100)(H,91,103)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,104,105)(H4,79,80,84)(H4,81,82,85)/t53-,54-,55-,56-,57-,58+,59-,60-,61-,65-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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