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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 699.8
BDBM50136746

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50136746
PNG
((S)-2-[(S)-2-(2-{Acetyl-[2-(1H-imidazol-4-yl)-ethy...)
Show SMILES CC(=O)N(CCc1cnc[nH]1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5/c1-22(47)46(15-13-25-19-39-21-42-25)20-31(48)43-30(16-23-8-3-2-4-9-23)34(51)44-28(12-7-14-40-35(37)38)33(50)45-29(32(36)49)17-24-18-41-27-11-6-5-10-26(24)27/h2-6,8-11,18-19,21,28-30,41H,7,12-17,20H2,1H3,(H2,36,49)(H,39,42)(H,43,48)(H,44,51)(H,45,50)(H4,37,38,40)/t28-,29-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 530n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonistic activity evaluated at melanocortin 5 receptor (MC5R) of mouse HEK293 cells


Bioorg Med Chem Lett 13: 4505-9 (2003)


BindingDB Entry DOI: 10.7270/Q2N29XHH
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50136746
PNG
((S)-2-[(S)-2-(2-{Acetyl-[2-(1H-imidazol-4-yl)-ethy...)
Show SMILES CC(=O)N(CCc1cnc[nH]1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5/c1-22(47)46(15-13-25-19-39-21-42-25)20-31(48)43-30(16-23-8-3-2-4-9-23)34(51)44-28(12-7-14-40-35(37)38)33(50)45-29(32(36)49)17-24-18-41-27-11-6-5-10-26(24)27/h2-6,8-11,18-19,21,28-30,41H,7,12-17,20H2,1H3,(H2,36,49)(H,39,42)(H,43,48)(H,44,51)(H,45,50)(H4,37,38,40)/t28-,29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonistic activity evaluated at melanocortin 1 receptor (MC1R) of mouse HEK293 cells


Bioorg Med Chem Lett 13: 4505-9 (2003)


BindingDB Entry DOI: 10.7270/Q2N29XHH
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50136746
PNG
((S)-2-[(S)-2-(2-{Acetyl-[2-(1H-imidazol-4-yl)-ethy...)
Show SMILES CC(=O)N(CCc1cnc[nH]1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C35H45N11O5/c1-22(47)46(15-13-25-19-39-21-42-25)20-31(48)43-30(16-23-8-3-2-4-9-23)34(51)44-28(12-7-14-40-35(37)38)33(50)45-29(32(36)49)17-24-18-41-27-11-6-5-10-26(24)27/h2-6,8-11,18-19,21,28-30,41H,7,12-17,20H2,1H3,(H2,36,49)(H,39,42)(H,43,48)(H,44,51)(H,45,50)(H4,37,38,40)/t28-,29-,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 880n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonistic activity evaluated at melanocortin 4 receptor (MC4R) of mouse HEK293 cells


Bioorg Med Chem Lett 13: 4505-9 (2003)


BindingDB Entry DOI: 10.7270/Q2N29XHH
More data for this
Ligand-Target Pair