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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3 (MC3R)' and Ligand = 'BDBM50189014'   
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50189014
PNG
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189014
PNG
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair