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PubMed code 24517312

Compile data set for download or QSAR
Found 98 hits of Enzyme Inhibition Constant Data   
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
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=1/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-/s2
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PubMed
n/an/a 14n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [I125]-NDP-MSH from wild type human melanocortin-4 receptor expressed in HEK293 cells


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017131
PNG
(CHEMBL3287324)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 0.260n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017133
PNG
(CHEMBL3287326)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37ClN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 0.400n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017128
PNG
(CHEMBL3287322)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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PubMed
n/an/an/an/a 0.840n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017130
PNG
(CHEMBL3287323)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 0.450n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017135
PNG
(CHEMBL3287328)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 1n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017154
PNG
(CHEMBL3287331)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C40H39I2N5O5/c1-24(48)46-22-29-8-4-2-6-27(29)20-35(46)38(50)45-34(19-26-12-16-32(42)17-13-26)40(52)47-23-30-9-5-3-7-28(30)21-36(47)39(51)44-33(37(43)49)18-25-10-14-31(41)15-11-25/h2-17,33-36H,18-23H2,1H3,(H2,43,49)(H,44,51)(H,45,50)/t33-,34+,35?,36?/s2
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n/an/an/an/a 114n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017155
PNG
(CHEMBL3287333)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)45-20-25-6-3-2-5-24(25)19-31(45)35(51)44-30(18-22-8-12-26(37)13-9-22)34(50)42-28(7-4-16-41-36(39)40)33(49)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,50)(H,43,49)(H,44,51)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017164
PNG
(CHEMBL3287342)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C32H45IN12O7/c1-18(46)41-23(4-2-14-39-31(35)36)28(48)44-26(17-19-6-10-21(33)11-7-19)30(50)42-24(5-3-15-40-32(37)38)29(49)43-25(27(34)47)16-20-8-12-22(13-9-20)45(51)52/h6-13,23-26H,2-5,14-17H2,1H3,(H2,34,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25+,26+/s2
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n/an/an/an/a 6.70n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017166
PNG
(CHEMBL3287344)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C40H39ClN6O7/c1-24(48)45-22-29-8-4-2-6-27(29)20-35(45)38(50)44-34(19-25-10-14-31(41)15-11-25)40(52)46-23-30-9-5-3-7-28(30)21-36(46)39(51)43-33(37(42)49)18-26-12-16-32(17-13-26)47(53)54/h2-17,33-36H,18-23H2,1H3,(H2,42,49)(H,43,51)(H,44,50)/t33-,34-,35?,36?/s2
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n/an/an/an/a 9.60n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017167
PNG
(CHEMBL3287345)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C40H39ClIN5O5/c1-24(48)46-22-29-8-4-2-6-27(29)20-35(46)38(50)45-34(19-25-10-14-31(41)15-11-25)40(52)47-23-30-9-5-3-7-28(30)21-36(47)39(51)44-33(37(43)49)18-26-12-16-32(42)17-13-26/h2-17,33-36H,18-23H2,1H3,(H2,43,49)(H,44,51)(H,45,50)/t33-,34+,35?,36?/s2
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n/an/an/an/a 120n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017168
PNG
(CHEMBL3287346)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C41H40ClN5O5/c1-25(48)45-22-30-11-5-3-9-28(30)20-36(45)39(50)44-34(18-26-14-16-33(42)17-15-26)40(51)47-24-32-13-7-4-10-29(32)21-37(47)41(52)46-23-31-12-6-2-8-27(31)19-35(46)38(43)49/h2-17,34-37H,18-24H2,1H3,(H2,43,49)(H,44,50)/t34-,35?,36?,37?/s2
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n/an/an/an/a 640n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017177
PNG
(CHEMBL3287355)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H43ClN8O5/c1-22(47)43-29(11-6-16-42-37(40)41)34(49)44-30(17-23-12-14-28(38)15-13-23)35(50)46-21-27-10-5-3-8-25(27)19-32(46)36(51)45-20-26-9-4-2-7-24(26)18-31(45)33(39)48/h2-5,7-10,12-15,29-32H,6,11,16-21H2,1H3,(H2,39,48)(H,43,47)(H,44,49)(H4,40,41,42)/t29-,30+,31?,32?/s2
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n/an/an/an/a 250n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017178
PNG
(CHEMBL3287356)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C32H45ClN12O7/c1-18(46)41-23(4-2-14-39-31(35)36)28(48)44-26(17-19-6-10-21(33)11-7-19)30(50)42-24(5-3-15-40-32(37)38)29(49)43-25(27(34)47)16-20-8-12-22(13-9-20)45(51)52/h6-13,23-26H,2-5,14-17H2,1H3,(H2,34,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25+,26+/s2
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n/an/an/an/a 21n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 0.290n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017147
PNG
(CHEMBL3287069)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C37H44IN9O6/c1-21(48)44-30(18-23-13-14-32(49)26(38)16-23)35(52)47-31(17-22-8-3-2-4-9-22)36(53)45-28(12-7-15-42-37(40)41)34(51)46-29(33(39)50)19-24-20-43-27-11-6-5-10-25(24)27/h2-6,8-11,13-14,16,20,28-31,43,49H,7,12,15,17-19H2,1H3,(H2,39,50)(H,44,48)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t28-,29-,30-,31+/s2
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n/an/an/an/a 1.90n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017151
PNG
(CHEMBL3287073)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C32H41N11O7/c1-19(44)39-27(16-22-17-36-18-38-22)31(48)42-26(15-20-6-3-2-4-7-20)30(47)40-24(8-5-13-37-32(34)35)29(46)41-25(28(33)45)14-21-9-11-23(12-10-21)43(49)50/h2-4,6-7,9-12,17-18,24-27H,5,8,13-16H2,1H3,(H2,33,45)(H,36,38)(H,39,44)(H,40,47)(H,41,46)(H,42,48)(H4,34,35,37)/t24-,25-,26+,27-/s2
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n/an/an/an/a 195n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017156
PNG
(CHEMBL3287334)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H42I2N8O5/c1-21(47)46-20-25-6-3-2-5-24(25)19-31(46)35(51)45-30(18-23-10-14-27(38)15-11-23)34(50)43-28(7-4-16-42-36(40)41)33(49)44-29(32(39)48)17-22-8-12-26(37)13-9-22/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,39,48)(H,43,50)(H,44,49)(H,45,51)(H4,40,41,42)/t28-,29-,30+,31?/s2
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n/an/an/an/a 4.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017159
PNG
(CHEMBL3287337)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H38IN7O5/c1-22(46)42-30(17-29-18-40-21-41-29)35(48)43-31(14-23-10-12-28(38)13-11-23)36(49)45-20-27-9-5-3-7-25(27)16-33(45)37(50)44-19-26-8-4-2-6-24(26)15-32(44)34(39)47/h2-13,18,21,30-33H,14-17,19-20H2,1H3,(H2,39,47)(H,40,41)(H,42,46)(H,43,48)/t30-,31+,32?,33?/s2
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n/an/an/an/a 24n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017173
PNG
(CHEMBL3287351)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H38ClN7O5/c1-22(46)42-30(17-29-18-40-21-41-29)35(48)43-31(14-23-10-12-28(38)13-11-23)36(49)45-20-27-9-5-3-7-25(27)16-33(45)37(50)44-19-26-8-4-2-6-24(26)15-32(44)34(39)47/h2-13,18,21,30-33H,14-17,19-20H2,1H3,(H2,39,47)(H,40,41)(H,42,46)(H,43,48)/t30-,31+,32?,33?/s2
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n/an/an/an/a 160n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134948
PNG
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1/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-/s2
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n/an/an/an/a 0.0880n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/s2
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n/an/an/an/a 0.930n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 19n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017135
PNG
(CHEMBL3287328)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 22n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017141
PNG
(CHEMBL3287063)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H43N9O5/c1-21(44)40-30(17-24-19-37-20-39-24)34(48)43-29(15-22-9-3-2-4-10-22)33(47)41-27(13-7-8-14-35)32(46)42-28(31(36)45)16-23-18-38-26-12-6-5-11-25(23)26/h2-6,9-12,18-20,27-30,38H,7-8,13-17,35H2,1H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/s2
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n/an/an/an/a 40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017160
PNG
(CHEMBL3287338)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C32H40IN11O7/c1-18(45)40-27(15-22-16-37-17-39-22)31(49)43-26(14-19-4-8-21(33)9-5-19)30(48)41-24(3-2-12-38-32(35)36)29(47)42-25(28(34)46)13-20-6-10-23(11-7-20)44(50)51/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,34,46)(H,37,39)(H,40,45)(H,41,48)(H,42,47)(H,43,49)(H4,35,36,38)/t24-,25+,26+,27-/s2
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n/an/an/an/a 3.60n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017161
PNG
(CHEMBL3287339)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C33H41IN10O5/c1-19(45)41-27(15-24-16-38-18-40-24)31(48)43-26(13-20-8-10-23(34)11-9-20)30(47)42-25(7-4-12-39-33(36)37)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,47)(H,43,48)(H4,36,37,39)/t25-,26+,27-,28?/s2
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n/an/an/an/a 89n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017171
PNG
(CHEMBL3287349)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H43ClN8O5/c1-22(47)45-20-26-9-4-3-8-25(26)19-32(45)35(50)44-30(17-23-12-14-28(38)15-13-23)34(49)43-29(11-6-16-42-37(40)41)36(51)46-21-27-10-5-2-7-24(27)18-31(46)33(39)48/h2-5,7-10,12-15,29-32H,6,11,16-21H2,1H3,(H2,39,48)(H,43,49)(H,44,50)(H4,40,41,42)/t29-,30+,31?,32?/s2
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n/an/an/an/a 960n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017175
PNG
(CHEMBL3287353)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C33H41ClN10O5/c1-19(45)41-27(15-24-16-38-18-40-24)31(48)43-26(13-20-8-10-23(34)11-9-20)30(47)42-25(7-4-12-39-33(36)37)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,47)(H,43,48)(H4,36,37,39)/t25-,26+,27-,28?/s2
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n/an/an/an/a 110n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017176
PNG
(CHEMBL3287354)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H42ClIN8O5/c1-21(47)43-28(7-4-16-42-36(40)41)33(49)45-30(18-22-8-12-26(37)13-9-22)35(51)46-20-25-6-3-2-5-24(25)19-31(46)34(50)44-29(32(39)48)17-23-10-14-27(38)15-11-23/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,39,48)(H,43,47)(H,44,50)(H,45,49)(H4,40,41,42)/t28-,29-,30+,31?/s2
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n/an/an/an/a 22n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017179
PNG
(CHEMBL3287357)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C33H46ClN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)44-26(16-20-10-12-23(34)13-11-20)30(49)43-25(9-5-15-41-33(38)39)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,49)(H,44,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27?/s2
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n/an/an/an/a 110n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017128
PNG
(CHEMBL3287322)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 0.240n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017136
PNG
(CHEMBL3287329)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45ClIN11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-19-6-10-21(33)11-7-19)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-20-8-12-22(34)13-9-20/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 24n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017135
PNG
(CHEMBL3287328)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 94n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017133
PNG
(CHEMBL3287326)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37ClN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 5.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017135
PNG
(CHEMBL3287328)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 7.60n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017133
PNG
(CHEMBL3287326)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37ClN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 0.630n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017136
PNG
(CHEMBL3287329)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45ClIN11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-19-6-10-21(33)11-7-19)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-20-8-12-22(34)13-9-20/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 5.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017152
PNG
(CHEMBL3287074)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1/C36H44N10O5/c1-22(47)43-31(19-26-20-40-21-42-26)35(51)46-30(17-23-9-3-2-4-10-23)34(50)44-28(15-8-16-41-36(38)39)33(49)45-29(32(37)48)18-25-13-7-12-24-11-5-6-14-27(24)25/h2-7,9-14,20-21,28-31H,8,15-19H2,1H3,(H2,37,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,38,39,41)/t28-,29?,30+,31-/s2
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n/an/an/an/a 28n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017157
PNG
(CHEMBL3287335)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H43IN8O5/c1-22(47)45-20-26-9-4-3-8-25(26)19-32(45)35(50)44-30(17-23-12-14-28(38)15-13-23)34(49)43-29(11-6-16-42-37(40)41)36(51)46-21-27-10-5-2-7-24(27)18-31(46)33(39)48/h2-5,7-10,12-15,29-32H,6,11,16-21H2,1H3,(H2,39,48)(H,43,49)(H,44,50)(H4,40,41,42)/t29-,30+,31?,32?/s2
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n/an/an/an/a 280n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017162
PNG
(CHEMBL3287340)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H42I2N8O5/c1-21(47)43-28(7-4-16-42-36(40)41)33(49)45-30(18-23-10-14-27(38)15-11-23)35(51)46-20-25-6-3-2-5-24(25)19-31(46)34(50)44-29(32(39)48)17-22-8-12-26(37)13-9-22/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,39,48)(H,43,47)(H,44,50)(H,45,49)(H4,40,41,42)/t28-,29-,30+,31?/s2
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n/an/an/an/a 203n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017165
PNG
(CHEMBL3287343)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)44-26(16-20-10-12-23(34)13-11-20)30(49)43-25(9-5-15-41-33(38)39)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,49)(H,44,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27?/s2
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n/an/an/an/a 57n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017169
PNG
(CHEMBL3287347)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)45-20-25-6-3-2-5-24(25)19-31(45)35(51)44-30(18-22-8-12-26(37)13-9-22)34(50)42-28(7-4-16-41-36(39)40)33(49)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,50)(H,43,49)(H,44,51)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017174
PNG
(CHEMBL3287352)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C32H40ClN11O7/c1-18(45)40-27(15-22-16-37-17-39-22)31(49)43-26(14-19-4-8-21(33)9-5-19)30(48)41-24(3-2-12-38-32(35)36)29(47)42-25(28(34)46)13-20-6-10-23(11-7-20)44(50)51/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,34,46)(H,37,39)(H,40,45)(H,41,48)(H,42,47)(H,43,49)(H4,35,36,38)/t24-,25+,26+,27-/s2
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n/an/an/an/a 15n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1/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-/s2
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n/an/an/an/a 0.330n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017136
PNG
(CHEMBL3287329)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45ClIN11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-19-6-10-21(33)11-7-19)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-20-8-12-22(34)13-9-20/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 0.190n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017128
PNG
(CHEMBL3287322)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 2.90n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017130
PNG
(CHEMBL3287323)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 0.700n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017131
PNG
(CHEMBL3287324)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 2.70n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 4.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114739
PNG
(1N-[1-carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]-5-ami...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H46N10O5/c1-23(50)46-34(20-26-22-45-30-15-8-6-13-28(26)30)38(54)49-33(18-24-10-3-2-4-11-24)37(53)47-31(16-9-17-43-39(41)42)36(52)48-32(35(40)51)19-25-21-44-29-14-7-5-12-27(25)29/h2-8,10-15,21-22,31-34,44-45H,9,16-20H2,1H3,(H2,40,51)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,41,42,43)/t31-,32-,33+,34-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017140
PNG
(CHEMBL3287062)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C31H46N14O5/c1-17(46)42-25(13-19-15-37-16-41-19)29(50)44-22(8-4-10-38-30(33)34)27(48)43-23(9-5-11-39-31(35)36)28(49)45-24(26(32)47)12-18-14-40-21-7-3-2-6-20(18)21/h2-3,6-7,14-16,22-25,40H,4-5,8-13H2,1H3,(H2,32,47)(H,37,41)(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H4,33,34,38)(H4,35,36,39)/t22-,23-,24-,25-/s2
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n/an/an/an/a 75n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50252899
PNG
(Ac-His-DPhe(pCl)-Arg-Trp-NH2 | CHEMBL491870)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H42ClN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/s2
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n/an/an/an/a 0.280n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017148
PNG
(CHEMBL3287070)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C38H40N8O5/c1-23(47)43-32(18-28-20-40-22-42-28)36(49)45-33(15-24-9-3-2-4-10-24)38(51)46-21-26-12-6-5-11-25(26)17-34(46)37(50)44-31(35(39)48)16-27-19-41-30-14-8-7-13-29(27)30/h2-14,19-20,22,31-34,41H,15-18,21H2,1H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)/t31-,32-,33+,34?/s2
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n/an/an/an/a 204n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017170
PNG
(CHEMBL3287348)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H42ClIN8O5/c1-21(47)46-20-25-6-3-2-5-24(25)19-31(46)35(51)45-30(18-22-8-12-26(37)13-9-22)34(50)43-28(7-4-16-42-36(40)41)33(49)44-29(32(39)48)17-23-10-14-27(38)15-11-23/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,39,48)(H,43,50)(H,44,49)(H,45,51)(H4,40,41,42)/t28-,29-,30+,31?/s2
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n/an/an/an/a 2.60n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 0.650n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165939
PNG
(AEKKDEGPYRMEHFRWGSPPKD | CHEMBL412536)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
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n/an/an/an/a 0.420n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114745
PNG
(1N-{3-[1-[4-amino(imino)methylamino-1-[1-carbamoyl...)
Show SMILES CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H43N9O5/c1-23(49)45-32-20-26-13-6-5-12-25(26)19-29(32)36(51)48-34(18-24-10-3-2-4-11-24)38(53)46-31(16-9-17-43-39(41)42)37(52)47-33(35(40)50)21-27-22-44-30-15-8-7-14-28(27)30/h2-8,10-15,19-20,22,31,33-34,44H,9,16-18,21H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,41,42,43)/t31-,33-,34+/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017130
PNG
(CHEMBL3287323)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 12n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 19n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017128
PNG
(CHEMBL3287322)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 3.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017138
PNG
(CHEMBL3287060)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C37H45N9O6/c1-22(47)43-31(19-24-13-15-26(48)16-14-24)35(51)46-32(18-23-8-3-2-4-9-23)36(52)44-29(12-7-17-41-37(39)40)34(50)45-30(33(38)49)20-25-21-42-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,42,48H,7,12,17-20H2,1H3,(H2,38,49)(H,43,47)(H,44,52)(H,45,50)(H,46,51)(H4,39,40,41)/t29-,30-,31-,32+/s2
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n/an/an/an/a 6.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017143
PNG
(CHEMBL3287065)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1/C32H41ClN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)43-26(15-20-6-3-2-4-7-20)30(47)41-24(8-5-13-38-32(35)36)29(46)42-25(28(34)45)14-21-9-11-22(33)12-10-21/h2-4,6-7,9-12,17-18,24-27H,5,8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,38)/t24-,25+,26+,27-/s2
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n/an/an/an/a 46n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017144
PNG
(CHEMBL3287066)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C38H45N9O5/c1-23(48)47-22-26-13-6-5-12-25(26)20-33(47)37(52)46-32(18-24-10-3-2-4-11-24)36(51)44-30(16-9-17-42-38(40)41)35(50)45-31(34(39)49)19-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,51)(H,45,50)(H,46,52)(H4,40,41,42)/t30-,31-,32+,33?/s2
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n/an/an/an/a 15n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017150
PNG
(CHEMBL3287072)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H41IN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)43-26(15-20-6-3-2-4-7-20)30(47)41-24(8-5-13-38-32(35)36)29(46)42-25(28(34)45)14-21-9-11-22(33)12-10-21/h2-4,6-7,9-12,17-18,24-27H,5,8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,38)/t24-,25-,26+,27-/s2
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n/an/an/an/a 5.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017153
PNG
(CHEMBL3287330)
Show SMILES CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C40H39IN6O7/c1-24(48)45-22-29-8-4-2-6-27(29)20-35(45)38(50)44-34(19-25-10-14-31(41)15-11-25)40(52)46-23-30-9-5-3-7-28(30)21-36(46)39(51)43-33(37(42)49)18-26-12-16-32(17-13-26)47(53)54/h2-17,33-36H,18-23H2,1H3,(H2,42,49)(H,43,51)(H,44,50)/t33-,34-,35?,36?/s2
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n/an/an/an/a 5.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017158
PNG
(CHEMBL3287336)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H37I2N7O5/c1-21(46)42-30(17-28-18-40-20-41-28)34(48)44-31(15-23-8-12-27(38)13-9-23)36(50)45-19-25-5-3-2-4-24(25)16-32(45)35(49)43-29(33(39)47)14-22-6-10-26(37)11-7-22/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,39,47)(H,40,41)(H,42,46)(H,43,49)(H,44,48)/t29-,30-,31+,32?/s2
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n/an/an/an/a 7.40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017163
PNG
(CHEMBL3287341)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C37H43IN8O5/c1-22(47)43-29(11-6-16-42-37(40)41)34(49)44-30(17-23-12-14-28(38)15-13-23)35(50)46-21-27-10-5-3-8-25(27)19-32(46)36(51)45-20-26-9-4-2-7-24(26)18-31(45)33(39)48/h2-5,7-10,12-15,29-32H,6,11,16-21H2,1H3,(H2,39,48)(H,43,47)(H,44,49)(H4,40,41,42)/t29-,30+,31?,32?/s2
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n/an/an/an/a 2.26E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50115373
PNG
(2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H42IN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/s2
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n/an/an/an/a 1.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017130
PNG
(CHEMBL3287323)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 0.120n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017134
PNG
(CHEMBL3287327)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40ClIN10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-19-4-8-21(33)9-5-19)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-20-6-10-22(34)11-7-20/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 0.450n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017135
PNG
(CHEMBL3287328)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42ClN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 0.210n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017130
PNG
(CHEMBL3287323)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/s2
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n/an/an/an/a 12n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017131
PNG
(CHEMBL3287324)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 2.70n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017133
PNG
(CHEMBL3287326)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37ClN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017128
PNG
(CHEMBL3287322)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 35n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017136
PNG
(CHEMBL3287329)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45ClIN11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-19-6-10-21(33)11-7-19)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-20-8-12-22(34)13-9-20/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 21n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017137
PNG
(CHEMBL3287059)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H48N12O5/c1-20(47)43-25(13-7-15-40-33(36)37)30(49)46-28(17-21-9-3-2-4-10-21)32(51)44-26(14-8-16-41-34(38)39)31(50)45-27(29(35)48)18-22-19-42-24-12-6-5-11-23(22)24/h2-6,9-12,19,25-28,42H,7-8,13-18H2,1H3,(H2,35,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/s2
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n/an/an/an/a 1.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017139
PNG
(CHEMBL3287061)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C34H48N12O5/c1-20(47)43-25(13-7-15-40-33(36)37)30(49)46-28(17-21-9-3-2-4-10-21)32(51)44-26(14-8-16-41-34(38)39)31(50)45-27(29(35)48)18-22-19-42-24-12-6-5-11-23(22)24/h2-6,9-12,19,25-28,42H,7-8,13-18H2,1H3,(H2,35,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,36,37,40)(H4,38,39,41)/t25-,26+,27+,28-/s2
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n/an/an/an/a 40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017142
PNG
(CHEMBL3287064)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1/C32H41ClN10O5/c1-19(44)40-27(16-23-17-37-18-39-23)31(48)43-26(15-20-6-3-2-4-7-20)30(47)41-24(8-5-13-38-32(35)36)29(46)42-25(28(34)45)14-21-9-11-22(33)12-10-21/h2-4,6-7,9-12,17-18,24-27H,5,8,13-16H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,38)/t24-,25-,26+,27-/s2
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n/an/an/an/a 17n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114734
PNG
(3N-[1-[4-amino(imino)methylamino-1-[1-carbamoyl-2-...)
Show SMILES CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H45N9O5/c1-23(48)47-22-26-13-6-5-12-25(26)20-33(47)37(52)46-32(18-24-10-3-2-4-11-24)36(51)44-30(16-9-17-42-38(40)41)35(50)45-31(34(39)49)19-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,51)(H,45,50)(H,46,52)(H4,40,41,42)/t30-,31-,32+,33+/m0/s1
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n/an/an/an/a 297n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017180
PNG
(CHEBI:3901 | COSYNTROPIN | Corticotropin Tetracosa...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1
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n/an/an/an/a 0.650n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1/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-/s2
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n/an/an/an/a 0.120n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
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=1/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-/s2
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n/an/an/an/a 0.260n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017131
PNG
(CHEMBL3287324)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 47n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 22n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017133
PNG
(CHEMBL3287326)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H37ClN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34(48)43-31(15-22-6-10-26(37)11-7-22)36(50)44-19-25-5-3-2-4-24(25)16-32(44)35(49)42-29(33(38)47)14-23-8-12-28(13-9-23)45(51)52/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,38,47)(H,39,40)(H,41,46)(H,42,49)(H,43,48)/t29-,30+,31-,32?/s2
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n/an/an/an/a 55n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017136
PNG
(CHEMBL3287329)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C32H45ClIN11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-19-6-10-21(33)11-7-19)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-20-8-12-22(34)13-9-20/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/s2
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n/an/an/an/a 7.40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017131
PNG
(CHEMBL3287324)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1/C36H42IN9O7/c1-21(47)42-28(7-4-16-41-36(39)40)33(49)44-30(18-22-8-12-26(37)13-9-22)35(51)45-20-25-6-3-2-5-24(25)19-31(45)34(50)43-29(32(38)48)17-23-10-14-27(15-11-23)46(52)53/h2-3,5-6,8-15,28-31H,4,7,16-20H2,1H3,(H2,38,48)(H,42,47)(H,43,50)(H,44,49)(H4,39,40,41)/t28-,29+,30+,31?/s2
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n/an/an/an/a 1.10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017145
PNG
(CHEMBL3287067)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C37H44ClN9O5/c1-22(48)44-31(19-24-13-15-26(38)16-14-24)35(51)47-32(18-23-8-3-2-4-9-23)36(52)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)20-25-21-43-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,52)(H,46,50)(H,47,51)(H4,40,41,42)/t29-,30-,31+,32+/s2
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n/an/an/an/a 48n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017146
PNG
(CHEMBL3287068)
Show SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C37H44IN9O5/c1-22(48)44-31(19-24-13-15-26(38)16-14-24)35(51)47-32(18-23-8-3-2-4-9-23)36(52)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)20-25-21-43-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,52)(H,46,50)(H,47,51)(H4,40,41,42)/t29-,30-,31+,32+/s2
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n/an/an/an/a 76n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017149
PNG
(CHEMBL3287071)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1/C33H42N10O5/c1-20(44)40-27(16-24-17-37-19-39-24)31(47)42-26(14-21-8-3-2-4-9-21)30(46)41-25(12-7-13-38-33(35)36)32(48)43-18-23-11-6-5-10-22(23)15-28(43)29(34)45/h2-6,8-11,17,19,25-28H,7,12-16,18H2,1H3,(H2,34,45)(H,37,39)(H,40,44)(H,41,46)(H,42,47)(H4,35,36,38)/t25-,26+,27-,28?/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017172
PNG
(CHEMBL3287350)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1/C36H37ClIN7O5/c1-21(46)42-30(17-28-18-40-20-41-28)34(48)44-31(15-22-6-10-26(37)11-7-22)36(50)45-19-25-5-3-2-4-24(25)16-32(45)35(49)43-29(33(39)47)14-23-8-12-27(38)13-9-23/h2-13,18,20,29-32H,14-17,19H2,1H3,(H2,39,47)(H,40,41)(H,42,46)(H,43,49)(H,44,48)/t29-,30-,31+,32?/s2
KEGG

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PubMed
n/an/an/an/a 15n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)


Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%