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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'richards' and Initial = 'ng'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r|
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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8n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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24n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r|
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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33n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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280n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r|
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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310n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r|
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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450n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+] |r|
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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490n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r|
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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840n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r|
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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3.04E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O |r|
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)


Article DOI: 10.1016/j.bmc.2012.07.047
BindingDB Entry DOI: 10.7270/Q2MC914M
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 insect cells assessed as overall inhibition constant


Bioorg Med Chem 17: 6641-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.071
BindingDB Entry DOI: 10.7270/Q2JS9RDD
More data for this
Ligand-Target Pair
Asparagine synthetase [glutamine-hydrolyzing]


(Homo sapiens (Human))
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 insect cells


Bioorg Med Chem 17: 6641-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.071
BindingDB Entry DOI: 10.7270/Q2JS9RDD
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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
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
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144877
PNG
(CHEMBL269274)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.22n/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; ND = not determined


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144877
PNG
(CHEMBL269274)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.45n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144871
PNG
(CHEMBL428134)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.74n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144882
PNG
(CHEMBL266288)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N4)NC3=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C217H327N65O62S21/c1-102(2)74-131-174(304)238-88-162(295)275-167(110(14)285)208(338)242-108(12)170(300)244-130(64-73-345-17)182(312)262-141(84-160(223)293)210(340)280-70-33-47-154(280)205(335)272-151(202(332)265-143(89-283)193(323)246-126(46-32-69-236-217(230)231)183(313)279-169(112(16)287)213(343)344)98-353-363-358-347-92-145-195(325)241-109(13)172(302)278-168(111(15)286)209(339)274-153-100-355-365-362-352-96-149-198(328)254-132(75-103(3)4)175(305)237-87-161(294)243-127(58-61-157(220)290)180(310)249-128(59-62-158(221)291)184(314)277-166(106(9)10)212(342)282-72-35-49-156(282)206(336)273-152(203(333)270-150(201(331)263-142(85-164(298)299)211(341)281-71-34-48-155(281)204(334)271-145)97-348-357-356-346-91-121(219)173(303)276-165(105(7)8)207(337)251-125(45-31-68-235-216(228)229)179(309)255-133(76-104(5)6)186(316)260-139(82-118-86-232-101-239-118)192(322)250-129(60-63-163(296)297)181(311)264-144(90-284)194(324)269-149)99-354-364-360-350-93-146(196(326)247-123(43-29-66-233-214(224)225)176(306)245-122(177(307)253-131)42-27-28-65-218)266-190(320)137(80-116-50-54-119(288)55-51-116)258-199(329)148-95-351-361-359-349-94-147(267-191(321)138(259-200(153)330)81-117-52-56-120(289)57-53-117)197(327)248-124(44-30-67-234-215(226)227)178(308)256-135(78-114-38-23-19-24-39-114)187(317)257-136(79-115-40-25-20-26-41-115)188(318)261-140(83-159(222)292)185(315)240-107(11)171(301)252-134(189(319)268-148)77-113-36-21-18-22-37-113/h18-26,36-41,50-57,86,101-112,121-156,165-169,283-289H,27-35,42-49,58-85,87-100,218-219H2,1-17H3,(H2,220,290)(H2,221,291)(H2,222,292)(H2,223,293)(H,232,239)(H,237,305)(H,238,304)(H,240,315)(H,241,325)(H,242,338)(H,243,294)(H,244,300)(H,245,306)(H,246,323)(H,247,326)(H,248,327)(H,249,310)(H,250,322)(H,251,337)(H,252,301)(H,253,307)(H,254,328)(H,255,309)(H,256,308)(H,257,317)(H,258,329)(H,259,330)(H,260,316)(H,261,318)(H,262,312)(H,263,331)(H,264,311)(H,265,332)(H,266,320)(H,267,321)(H,268,319)(H,269,324)(H,270,333)(H,271,334)(H,272,335)(H,273,336)(H,274,339)(H,275,295)(H,276,303)(H,277,314)(H,278,302)(H,279,313)(H,296,297)(H,298,299)(H,343,344)(H4,224,225,233)(H4,226,227,234)(H4,228,229,235)(H4,230,231,236)/t107-,108-,109-,110+,111+,112+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,165-,166-,167-,168-,169-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.48n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50155865
PNG
(CHEMBL2373991 | CUDPUATUYCRFFNAFCYCRKL)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C116H166N30O29S4/c1-9-72-96(156)126-62(7)94(154)145-92(63(8)147)112(172)130-74(11-3)97(157)135-81(52-67-36-40-69(148)41-37-67)106(166)143-87-58-178-179-59-88(144-105(165)78(49-64-26-15-12-16-27-64)134-93(153)61(6)127-102(162)83(54-90(119)150)139-104(164)80(51-66-30-19-14-20-31-66)137-103(163)79(50-65-28-17-13-18-29-65)136-100(160)77(133-109(87)169)34-24-46-125-116(122)123)110(170)138-82(53-68-38-42-70(149)43-39-68)107(167)142-86(108(168)132-76(33-23-45-124-115(120)121)99(159)131-75(32-21-22-44-117)101(161)141-85(114(174)175)48-60(4)5)57-177-176-56-71(118)95(155)128-73(10-2)98(158)140-84(55-91(151)152)113(173)146-47-25-35-89(146)111(171)129-72/h12-20,26-31,36-43,60-63,71-89,92,147-149H,9-11,21-25,32-35,44-59,117-118H2,1-8H3,(H2,119,150)(H,126,156)(H,127,162)(H,128,155)(H,129,171)(H,130,172)(H,131,159)(H,132,168)(H,133,169)(H,134,153)(H,135,157)(H,136,160)(H,137,163)(H,138,170)(H,139,164)(H,140,158)(H,141,161)(H,142,167)(H,143,166)(H,144,165)(H,145,154)(H,151,152)(H,174,175)(H4,120,121,124)(H4,122,123,125)/t61-,62-,63-,71?,72?,73?,74?,75+,76+,77?,78+,79+,80-,81-,82+,83?,84?,85+,86+,87+,88-,89+,92+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor


J Med Chem 47: 5662-73 (2004)


Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144871
PNG
(CHEMBL428134)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29.8n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50155865
PNG
(CHEMBL2373991 | CUDPUATUYCRFFNAFCYCRKL)
Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C116H166N30O29S4/c1-9-72-96(156)126-62(7)94(154)145-92(63(8)147)112(172)130-74(11-3)97(157)135-81(52-67-36-40-69(148)41-37-67)106(166)143-87-58-178-179-59-88(144-105(165)78(49-64-26-15-12-16-27-64)134-93(153)61(6)127-102(162)83(54-90(119)150)139-104(164)80(51-66-30-19-14-20-31-66)137-103(163)79(50-65-28-17-13-18-29-65)136-100(160)77(133-109(87)169)34-24-46-125-116(122)123)110(170)138-82(53-68-38-42-70(149)43-39-68)107(167)142-86(108(168)132-76(33-23-45-124-115(120)121)99(159)131-75(32-21-22-44-117)101(161)141-85(114(174)175)48-60(4)5)57-177-176-56-71(118)95(155)128-73(10-2)98(158)140-84(55-91(151)152)113(173)146-47-25-35-89(146)111(171)129-72/h12-20,26-31,36-43,60-63,71-89,92,147-149H,9-11,21-25,32-35,44-59,117-118H2,1-8H3,(H2,119,150)(H,126,156)(H,127,162)(H,128,155)(H,129,171)(H,130,172)(H,131,159)(H,132,168)(H,133,169)(H,134,153)(H,135,157)(H,136,160)(H,137,163)(H,138,170)(H,139,164)(H,140,158)(H,141,161)(H,142,167)(H,143,166)(H,144,165)(H,145,154)(H,151,152)(H,174,175)(H4,120,121,124)(H4,122,123,125)/t61-,62-,63-,71?,72?,73?,74?,75+,76+,77?,78+,79+,80-,81-,82+,83?,84?,85+,86+,87+,88-,89+,92+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 3 Receptor


J Med Chem 47: 5662-73 (2004)


Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50410195
PNG
(CHEMBL2096710)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C64H79N15O13S2/c1-36-55(84)74-47(30-37-12-5-2-6-13-37)61(90)79-52(63(92)73-46(54(67)83)29-41-21-25-43(81)26-22-41)35-94-93-34-51(78-56(85)44(65)28-40-19-23-42(80)24-20-40)62(91)72-45(18-11-27-70-64(68)69)57(86)75-48(31-38-14-7-3-8-15-38)59(88)76-49(32-39-16-9-4-10-17-39)60(89)77-50(33-53(66)82)58(87)71-36/h2-10,12-17,19-26,36,44-52,80-81H,11,18,27-35,65H2,1H3,(H2,66,82)(H2,67,83)(H,71,87)(H,72,91)(H,73,92)(H,74,84)(H,75,86)(H,76,88)(H,77,89)(H,78,85)(H,79,90)(H4,68,69,70)/t36-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 275n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor


J Med Chem 47: 5662-73 (2004)


Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144880
PNG
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)
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 290n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144880
PNG
(CHEMBL406032 | Tyr-c[Asp-His-Phe-Arg-Trp-Asn-Ala-P...)
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 540n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144879
PNG
(CHEMBL406550 | Tyr-c[Asp-DPhe-Arg-Trp-Asn-Ala-Phe-...)
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](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48+,49-,50+,51-,52-,57?/m1/s1
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n/an/a 3.10E+3n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144878
PNG
(CHEMBL402258 | Tyr-c[Asp-Arg-Phe-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C66H79N17O16/c1-35-57(91)75-45(29-36-12-5-2-6-13-36)54(89)64(98)81-56(65(99)83-82-46(53(88)55(69)90)30-40-21-25-42(85)26-22-40)80-52(87)34-50(76-58(92)43(67)28-39-19-23-41(84)24-20-39)63(97)74-44(18-11-27-72-66(70)71)59(93)77-47(31-37-14-7-3-8-15-37)61(95)78-48(32-38-16-9-4-10-17-38)62(96)79-49(33-51(68)86)60(94)73-35/h2-10,12-17,19-26,35,43-50,56,82,84-85H,11,18,27-34,67H2,1H3,(H2,68,86)(H2,69,90)(H,73,94)(H,74,97)(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,96)(H,80,87)(H,81,98)(H,83,99)(H4,70,71,72)/t35-,43-,44-,45+,46+,47+,48-,49+,50-,56?/m0/s1
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n/an/a 3.20E+3n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144874
PNG
(CHEMBL440633 | Tyr-c[Asp-Phe-Arg-Trp-Asn-Ala-Phe-D...)
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](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48-,49-,50+,51-,52+,57?/m1/s1
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n/an/a 4.10E+3n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144878
PNG
(CHEMBL402258 | Tyr-c[Asp-Arg-Phe-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C66H79N17O16/c1-35-57(91)75-45(29-36-12-5-2-6-13-36)54(89)64(98)81-56(65(99)83-82-46(53(88)55(69)90)30-40-21-25-42(85)26-22-40)80-52(87)34-50(76-58(92)43(67)28-39-19-23-41(84)24-20-39)63(97)74-44(18-11-27-72-66(70)71)59(93)77-47(31-37-14-7-3-8-15-37)61(95)78-48(32-38-16-9-4-10-17-38)62(96)79-49(33-51(68)86)60(94)73-35/h2-10,12-17,19-26,35,43-50,56,82,84-85H,11,18,27-34,67H2,1H3,(H2,68,86)(H2,69,90)(H,73,94)(H,74,97)(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,96)(H,80,87)(H,81,98)(H,83,99)(H4,70,71,72)/t35-,43-,44-,45+,46+,47+,48-,49+,50-,56?/m0/s1
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n/an/a 4.80E+3n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144879
PNG
(CHEMBL406550 | Tyr-c[Asp-DPhe-Arg-Trp-Asn-Ala-Phe-...)
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](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48+,49-,50+,51-,52-,57?/m1/s1
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n/an/a 6.80E+3n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/a 7.30E+3n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144874
PNG
(CHEMBL440633 | Tyr-c[Asp-Phe-Arg-Trp-Asn-Ala-Phe-D...)
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](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48-,49-,50+,51-,52+,57?/m1/s1
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n/an/a 9.20E+3n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144870
PNG
(CHEMBL410091 | Tyr-c[Asp-Trp-Arg-DPhe-Asn-Ala-Phe-...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48+,49-,50+,51-,52-,57?/m0/s1
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n/an/a>1.00E+4n/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)


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144870
PNG
(CHEMBL410091 | Tyr-c[Asp-Trp-Arg-DPhe-Asn-Ala-Phe-...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48+,49-,50+,51-,52-,57?/m0/s1
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n/an/a>1.00E+4n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50144881
PNG
(CHEMBL413465 | Tyr-c[Asp-Trp-Arg-Phe-Asn-Ala-Phe-D...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
Show InChI InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)76-45(17-10-26-73-68(70)71)59(94)78-48(29-37-13-6-3-7-14-37)61(96)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,97)(H,77,93)(H,78,94)(H,79,98)(H,80,96)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47+,48-,49-,50+,51-,52-,57?/m0/s1
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n/an/a 1.03E+4n/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


J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50410195
PNG
(CHEMBL2096710)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C64H79N15O13S2/c1-36-55(84)74-47(30-37-12-5-2-6-13-37)61(90)79-52(63(92)73-46(54(67)83)29-41-21-25-43(81)26-22-41)35-94-93-34-51(78-56(85)44(65)28-40-19-23-42(80)24-20-40)62(91)72-45(18-11-27-70-64(68)69)57(86)75-48(31-38-14-7-3-8-15-38)59(88)76-49(32-39-16-9-4-10-17-39)60(89)77-50(33-53(66)82)58(87)71-36/h2-10,12-17,19-26,36,44-52,80-81H,11,18,27-35,65H2,1H3,(H2,66,82)(H2,67,83)(H,71,87)(H,72,91)(H,73,92)(H,74,84)(H,75,86)(H,76,88)(H,77,89)(H,78,85)(H,79,90)(H4,68,69,70)/t36-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 3 Receptor


J Med Chem 47: 5662-73 (2004)


Article DOI: 10.1021/jm049620r
BindingDB Entry DOI: 10.7270/Q21N80MK
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of MT2 from mouse MC3R expressed in HEK293 cells


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50422955
PNG
(CHEMBL2304248)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72+,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
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n/an/an/an/a 8.30E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50422956
PNG
(CHEMBL2304249)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76?,77+,78-,79-,80-,81-,82-,85-/m0/s1
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n/an/an/an/a 6.24E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50422955
PNG
(CHEMBL2304248)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72+,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
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n/an/an/an/a 1.75E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of MT2 from mouse MC3R expressed in HEK293 cells


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 93n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50422957
PNG
(CHEMBL2304250)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.77E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50422956
PNG
(CHEMBL2304249)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76?,77+,78-,79-,80-,81-,82-,85-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.14E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>100n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50422956
PNG
(CHEMBL2304249)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76?,77+,78-,79-,80-,81-,82-,85-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase assay


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50422954
PNG
(CHEMBL2304247)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C107H152N28O27S2/c1-55(2)45-79(105(161)162)131-93(149)70(29-18-19-41-108)123-91(147)71(30-20-42-115-106(111)112)122-87(143)57(4)118-94(150)73(49-65-33-37-67(137)38-34-65)129-101(157)81-54-164-163-53-80(132-99(155)75(50-66-35-39-68(138)40-36-66)126-89(145)59(6)121-103(159)85(61(8)136)134-90(146)60(7)117-86(142)56(3)120-102(158)82-32-22-44-135(82)104(160)69(109)51-84(140)141)100(156)124-72(31-21-43-116-107(113)114)92(148)127-76(47-63-25-14-10-15-26-63)96(152)128-77(48-64-27-16-11-17-28-64)97(153)130-78(52-83(110)139)95(151)119-58(5)88(144)125-74(98(154)133-81)46-62-23-12-9-13-24-62/h9-17,23-28,33-40,55-61,69-82,85,136-138H,18-22,29-32,41-54,108-109H2,1-8H3,(H2,110,139)(H,117,142)(H,118,150)(H,119,151)(H,120,158)(H,121,159)(H,122,143)(H,123,147)(H,124,156)(H,125,144)(H,126,145)(H,127,148)(H,128,152)(H,129,157)(H,130,153)(H,131,149)(H,132,155)(H,133,154)(H,134,146)(H,140,141)(H,161,162)(H4,111,112,115)(H4,113,114,116)/t56-,57-,58-,59-,60-,61+,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,85-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.90n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of MT2 from mouse MC4R expressed in HEK293 cells


J Med Chem 47: 6702-10 (2004)


Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK
More data for this
Ligand-Target Pair
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