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BDBM50410255 CHEMBL2371828

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

InChI Key: InChIKey=XHXXRGNDLSBLRA-NXSNGYACSA-N

Data: 2 IC50  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 3 hits for monomerid = 50410255   
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))
BDBM50410255
PNG
(CHEMBL2371828)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)C(C)=O |wU:37.37,13.13,26.26,(-9.04,-26.89,;-7.85,-25.9,;-6.41,-26.43,;-5.23,-25.45,;-3.78,-25.98,;-2.6,-24.99,;-1.15,-25.52,;-.89,-27.04,;.03,-24.54,;1.48,-25.07,;2.66,-24.08,;2.4,-22.56,;4.1,-24.61,;5.29,-23.62,;5.02,-22.11,;3.58,-21.58,;3.32,-20.06,;1.87,-19.53,;1.61,-18.01,;6.73,-24.16,;7,-25.67,;7.92,-23.17,;9.36,-23.7,;10.54,-22.71,;11.22,-21.33,;11.99,-23.25,;13.17,-22.26,;12.91,-20.74,;14.09,-19.76,;13.83,-18.24,;15.01,-17.25,;14.75,-15.73,;15.93,-14.75,;13.3,-15.2,;14.62,-22.79,;14.88,-24.31,;15.8,-21.8,;17.25,-22.34,;18.43,-21.35,;19.87,-21.88,;20.29,-23.36,;21.83,-23.42,;22.36,-21.97,;23.79,-21.4,;24.01,-19.88,;22.8,-18.93,;21.37,-19.5,;21.15,-21.02,;17.51,-23.85,;16.33,-24.84,;18.95,-24.38,;19.22,-25.9,;20.66,-26.43,;20.93,-27.95,;21.85,-25.45,;7.65,-21.65,;8.84,-20.67,;8.57,-19.15,;9.76,-18.16,;11.2,-18.69,;11.46,-20.21,;10.28,-21.2,;-3.52,-27.49,;-2.07,-28.03,;-4.7,-28.48,)|
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-56(29(2)58)27-39(61)51-25-38(60)54-35(17-10-11-19-45)43(65)57(26-30-13-6-5-7-14-30)28-40(62)53-34(18-12-20-49-44(47)48)42(64)55-36(41(63)52-24-37(46)59)22-31-23-50-33-16-9-8-15-32(31)33/h5-9,13-16,23,34-36,50H,3-4,10-12,17-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,62)(H,54,60)(H,55,64)(H4,47,48,49)/t34?,35-,36-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 2.00E+3n/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))
BDBM50410255
PNG
(CHEMBL2371828)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)C(C)=O |wU:37.37,13.13,26.26,(-9.04,-26.89,;-7.85,-25.9,;-6.41,-26.43,;-5.23,-25.45,;-3.78,-25.98,;-2.6,-24.99,;-1.15,-25.52,;-.89,-27.04,;.03,-24.54,;1.48,-25.07,;2.66,-24.08,;2.4,-22.56,;4.1,-24.61,;5.29,-23.62,;5.02,-22.11,;3.58,-21.58,;3.32,-20.06,;1.87,-19.53,;1.61,-18.01,;6.73,-24.16,;7,-25.67,;7.92,-23.17,;9.36,-23.7,;10.54,-22.71,;11.22,-21.33,;11.99,-23.25,;13.17,-22.26,;12.91,-20.74,;14.09,-19.76,;13.83,-18.24,;15.01,-17.25,;14.75,-15.73,;15.93,-14.75,;13.3,-15.2,;14.62,-22.79,;14.88,-24.31,;15.8,-21.8,;17.25,-22.34,;18.43,-21.35,;19.87,-21.88,;20.29,-23.36,;21.83,-23.42,;22.36,-21.97,;23.79,-21.4,;24.01,-19.88,;22.8,-18.93,;21.37,-19.5,;21.15,-21.02,;17.51,-23.85,;16.33,-24.84,;18.95,-24.38,;19.22,-25.9,;20.66,-26.43,;20.93,-27.95,;21.85,-25.45,;7.65,-21.65,;8.84,-20.67,;8.57,-19.15,;9.76,-18.16,;11.2,-18.69,;11.46,-20.21,;10.28,-21.2,;-3.52,-27.49,;-2.07,-28.03,;-4.7,-28.48,)|
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-56(29(2)58)27-39(61)51-25-38(60)54-35(17-10-11-19-45)43(65)57(26-30-13-6-5-7-14-30)28-40(62)53-34(18-12-20-49-44(47)48)42(64)55-36(41(63)52-24-37(46)59)22-31-23-50-33-16-9-8-15-32(31)33/h5-9,13-16,23,34-36,50H,3-4,10-12,17-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,62)(H,54,60)(H,55,64)(H4,47,48,49)/t34?,35-,36-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01E+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 4


(Homo sapiens (Human))
BDBM50410255
PNG
(CHEMBL2371828)
Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)C(C)=O |wU:37.37,13.13,26.26,(-9.04,-26.89,;-7.85,-25.9,;-6.41,-26.43,;-5.23,-25.45,;-3.78,-25.98,;-2.6,-24.99,;-1.15,-25.52,;-.89,-27.04,;.03,-24.54,;1.48,-25.07,;2.66,-24.08,;2.4,-22.56,;4.1,-24.61,;5.29,-23.62,;5.02,-22.11,;3.58,-21.58,;3.32,-20.06,;1.87,-19.53,;1.61,-18.01,;6.73,-24.16,;7,-25.67,;7.92,-23.17,;9.36,-23.7,;10.54,-22.71,;11.22,-21.33,;11.99,-23.25,;13.17,-22.26,;12.91,-20.74,;14.09,-19.76,;13.83,-18.24,;15.01,-17.25,;14.75,-15.73,;15.93,-14.75,;13.3,-15.2,;14.62,-22.79,;14.88,-24.31,;15.8,-21.8,;17.25,-22.34,;18.43,-21.35,;19.87,-21.88,;20.29,-23.36,;21.83,-23.42,;22.36,-21.97,;23.79,-21.4,;24.01,-19.88,;22.8,-18.93,;21.37,-19.5,;21.15,-21.02,;17.51,-23.85,;16.33,-24.84,;18.95,-24.38,;19.22,-25.9,;20.66,-26.43,;20.93,-27.95,;21.85,-25.45,;7.65,-21.65,;8.84,-20.67,;8.57,-19.15,;9.76,-18.16,;11.2,-18.69,;11.46,-20.21,;10.28,-21.2,;-3.52,-27.49,;-2.07,-28.03,;-4.7,-28.48,)|
Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-56(29(2)58)27-39(61)51-25-38(60)54-35(17-10-11-19-45)43(65)57(26-30-13-6-5-7-14-30)28-40(62)53-34(18-12-20-49-44(47)48)42(64)55-36(41(63)52-24-37(46)59)22-31-23-50-33-16-9-8-15-32(31)33/h5-9,13-16,23,34-36,50H,3-4,10-12,17-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,62)(H,54,60)(H,55,64)(H4,47,48,49)/t34?,35-,36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01E+3n/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