BDBM50179466 (2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hydroxy-phenyl)-hexanoic acid [(S)-4-guanidino-1-((S)-1-methylcarbamoyl-2-naphthalen-2-yl-ethylcarbamoyl)-butyl]-amide::CHEMBL437132
SMILES: [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
InChI Key: InChIKey=HPFQGCSUEXCNCU-KUHXYZIISA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50179466 ((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to MC4 receptor | Bioorg Med Chem Lett 16: 1721-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.005 BindingDB Entry DOI: 10.7270/Q2ZS2W2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50179466 ((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to MC3 receptor | Bioorg Med Chem Lett 16: 1721-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.005 BindingDB Entry DOI: 10.7270/Q2ZS2W2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50179466 ((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to MC1 receptor | Bioorg Med Chem Lett 16: 1721-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.005 BindingDB Entry DOI: 10.7270/Q2ZS2W2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50179466 ((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Agonist potency at MC4 receptor | Bioorg Med Chem Lett 16: 1721-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.005 BindingDB Entry DOI: 10.7270/Q2ZS2W2N | |||||||||||
More data for this Ligand-Target Pair |