BDBM50164801 CHEMBL3798912

SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key InChIKey=CVDQYXOEEAGKLB-HPYHLGIWSA-N

Data  3 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50164801   

TargetMelanocyte-stimulating hormone receptor(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50164801(CHEMBL3798912)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/m0/s1
Affinity DataIC50: 1.87E+3nMAssay Description:Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysisMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50164801(CHEMBL3798912)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/m0/s1
Affinity DataEC50:  139nMAssay Description:Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50164801(CHEMBL3798912)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/m0/s1
Affinity DataIC50: 22nMAssay Description:Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysisMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Mus musculus)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50164801(CHEMBL3798912)
Show SMILES NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H69N13O10/c51-15-6-18-70-20-22-72-23-21-71-19-7-17-56-44(64)30-73-31-45(65)60-43(27-37-29-55-32-59-37)49(69)63-42(25-33-13-14-34-8-1-2-9-35(34)24-33)48(68)61-40(12-5-16-57-50(53)54)47(67)62-41(46(52)66)26-36-28-58-39-11-4-3-10-38(36)39/h1-4,8-11,13-14,24,28-29,32,40-43,58H,5-7,12,15-23,25-27,30-31,51H2,(H2,52,66)(H,55,59)(H,56,64)(H,60,65)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)/t40-,41-,42+,43-/m0/s1
Affinity DataIC50: 999nMAssay Description:Displacement of 125I-NDP-MSH from mouse MC3R expressed in HEK293 cells incubated for 1 hr by gamma counting analysisMore data for this Ligand-Target Pair