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BDBM50230819 CHEMBL398664::c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Lys]-NH2

SMILES: NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O

InChI Key: InChIKey=VFHJQMPJMWPJBF-UBLLTGQXSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 50230819   
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 5 (MC5R)


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/an/an/a 570n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 385n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/an/an/a>2.00E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair