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BDBM50389772 CHEMBL2070244

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O

InChI Key: InChIKey=IVRFZQRHPFZUMZ-WGEDKLGZSA-N

Data: 4 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50389772   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
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1n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
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22n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
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73n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
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n/an/an/an/a 0.470n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser...


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair