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BDBM50374671 CHEMBL272660

SMILES: NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O

InChI Key: InChIKey=OHZACAASEFWFDZ-KFIZHRIMSA-N

Data: 1 IC50  4 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 = 50374671   
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


(Mus musculus (Mouse))
BDBM50374671
PNG
(CHEMBL272660)
Show SMILES NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-55-22-10-21-48-38(57)18-19-39(58)51-34(23-28-11-3-1-4-12-28)41(60)53-35(24-29-13-5-2-6-14-29)42(61)52-33(17-9-20-49-44(46)47)40(59)54-36(43(55)62)25-30-26-50-32-16-8-7-15-31(30)32/h1-8,11-16,26,33-36,50H,9-10,17-25,27H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H,54,59)(H4,46,47,49)/t33-,34-,35+,36-/m0/s1
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Article
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n/an/an/an/a 2n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50374671
PNG
(CHEMBL272660)
Show SMILES NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-55-22-10-21-48-38(57)18-19-39(58)51-34(23-28-11-3-1-4-12-28)41(60)53-35(24-29-13-5-2-6-14-29)42(61)52-33(17-9-20-49-44(46)47)40(59)54-36(43(55)62)25-30-26-50-32-16-8-7-15-31(30)32/h1-8,11-16,26,33-36,50H,9-10,17-25,27H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H,54,59)(H4,46,47,49)/t33-,34-,35+,36-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from MC4R


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50374671
PNG
(CHEMBL272660)
Show SMILES NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-55-22-10-21-48-38(57)18-19-39(58)51-34(23-28-11-3-1-4-12-28)41(60)53-35(24-29-13-5-2-6-14-29)42(61)52-33(17-9-20-49-44(46)47)40(59)54-36(43(55)62)25-30-26-50-32-16-8-7-15-31(30)32/h1-8,11-16,26,33-36,50H,9-10,17-25,27H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H,54,59)(H4,46,47,49)/t33-,34-,35+,36-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50374671
PNG
(CHEMBL272660)
Show SMILES NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-55-22-10-21-48-38(57)18-19-39(58)51-34(23-28-11-3-1-4-12-28)41(60)53-35(24-29-13-5-2-6-14-29)42(61)52-33(17-9-20-49-44(46)47)40(59)54-36(43(55)62)25-30-26-50-32-16-8-7-15-31(30)32/h1-8,11-16,26,33-36,50H,9-10,17-25,27H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H,54,59)(H4,46,47,49)/t33-,34-,35+,36-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50374671
PNG
(CHEMBL272660)
Show SMILES NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-55-22-10-21-48-38(57)18-19-39(58)51-34(23-28-11-3-1-4-12-28)41(60)53-35(24-29-13-5-2-6-14-29)42(61)52-33(17-9-20-49-44(46)47)40(59)54-36(43(55)62)25-30-26-50-32-16-8-7-15-31(30)32/h1-8,11-16,26,33-36,50H,9-10,17-25,27H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H,54,59)(H4,46,47,49)/t33-,34-,35+,36-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair