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BDBM50410251 CHEMBL2371835

SMILES: CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

InChI Key: InChIKey=PZILMBPLSJGOIU-YPYRDUQCSA-N

Data: 3 IC50  2 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 = 50410251   
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))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/an/an/a 63n/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410251
PNG
(CHEMBL2371835)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair