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SMILES: CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=ANGMCMXZFGHVPX-AKHKZFQHSA-N

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 = 50358560   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50358560
PNG
(CHEMBL1923663)
Show SMILES CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)|
Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50358560
PNG
(CHEMBL1923663)
Show SMILES CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)|
Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50358560
PNG
(CHEMBL1923663)
Show SMILES CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:26.27,37.39,16.16,wD:48.50,4.3,(-5.47,-21.29,;-4.14,-22.06,;-4.14,-23.6,;-2.81,-21.28,;-1.47,-22.05,;-1.47,-23.59,;-.13,-24.36,;-.13,-25.9,;-1.46,-26.66,;-1.46,-28.2,;-.12,-28.97,;1.21,-28.19,;1.2,-26.66,;-.14,-21.28,;-.14,-19.74,;1.2,-22.05,;2.52,-21.28,;2.52,-19.74,;3.86,-18.96,;5.34,-19.43,;6.22,-18.17,;5.3,-16.94,;3.84,-17.43,;3.86,-22.05,;3.86,-23.59,;5.19,-21.28,;6.53,-22.05,;6.53,-23.59,;7.86,-24.36,;9.19,-23.6,;10.53,-24.37,;10.52,-25.91,;9.19,-26.68,;7.85,-25.91,;7.86,-21.28,;7.86,-19.75,;9.2,-22.05,;10.53,-21.29,;10.53,-19.75,;11.86,-18.98,;11.86,-17.44,;13.2,-16.67,;13.2,-15.13,;11.87,-14.36,;14.54,-14.36,;11.86,-22.06,;11.86,-23.6,;13.19,-21.29,;14.53,-22.06,;14.53,-23.6,;15.86,-24.37,;17.11,-23.48,;18.35,-24.39,;17.87,-25.85,;18.64,-27.18,;17.86,-28.52,;16.32,-28.51,;15.55,-27.17,;16.33,-25.84,;15.86,-21.29,;17.2,-22.06,;15.86,-19.75,)|
Show InChI InChI=1S/C44H54N12O6/c1-27(57)52-35(19-18-28-11-4-2-5-12-28)41(60)56-38(23-31-25-48-26-51-31)43(62)55-37(21-29-13-6-3-7-14-29)42(61)53-34(17-10-20-49-44(46)47)40(59)54-36(39(45)58)22-30-24-50-33-16-9-8-15-32(30)33/h2-9,11-16,24-26,34-38,50H,10,17-23H2,1H3,(H2,45,58)(H,48,51)(H,52,57)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,49)/t34-,35-,36-,37+,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
988n/an/an/an/an/an/an/an/a



H. Lee Moffitt Cancer Center& Research Institute

Curated by ChEMBL


Assay Description
Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis


J Med Chem 54: 8078-84 (2011)


Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K
More data for this
Ligand-Target Pair