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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'doering' and Initial = 'sr'   
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


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
KEGG

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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
KEGG

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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
KEGG

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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))
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 |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
KEGG

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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 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 |r|
Show InChI InChI=1S/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?/m1/s1
KEGG

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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 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 |r|
Show InChI InChI=1S/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-/m0/s1
KEGG

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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))
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 |r|
Show InChI InChI=1S/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?/m0/s1
KEGG

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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))
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 |r|
Show InChI InChI=1S/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+/m0/s1
KEGG

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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))
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 |r|
Show InChI InChI=1S/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?/m1/s1
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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 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 |r|
Show InChI InChI=1S/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-/m0/s1
KEGG

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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 |r|
Show InChI InChI=1S/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?/m0/s1
KEGG

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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 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 |r|
Show InChI InChI=1S/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+/m0/s1
KEGG

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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 |r|
Show InChI InChI=1S/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?/m1/s1
KEGG

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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 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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m0/s1
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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)
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m1/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m0/s1
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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)
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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)
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 |r|
Show InChI InChI=1S/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?/m1/s1
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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)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)
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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 |r|
Show InChI InChI=1S/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+/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m1/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)
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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 |r|
Show InChI InChI=1S/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+/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m1/s1
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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)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 |r|
Show InChI InChI=1S/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+/m0/s1
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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


(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 |r|
Show InChI InChI=1S/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?/m1/s1
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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)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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


(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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 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 |r|
Show InChI InChI=1S/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+/m0/s1
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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))
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 |r|
Show InChI InChI=1S/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?/m1/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 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 |r|
Show InChI InChI=1S/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+/m0/s1
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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 |r|
Show InChI InChI=1S/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?/m1/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
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 |r|
Show InChI InChI=1S/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?/m0/s1
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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 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 |r|
Show InChI InChI=1S/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+/m0/s1
UniProtKB/SwissProt

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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))
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 |r|
Show InChI InChI=1S/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+/m0/s1
KEGG

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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))
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
KEGG

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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))
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 |r|
Show InChI InChI=1S/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+/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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))
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
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 |r|
Show InChI InChI=1S/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-/m0/s1
KEGG

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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
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