BDBM50214686 1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-fluorophenyl]piperazin-1-yl}-1-(2,4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one::CHEMBL236732
SMILES: CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
InChI Key: InChIKey=NUALMFMLNXDIHK-AZGAKELHSA-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)) | BDBM50214686 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc Curated by ChEMBL | Assay Description Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells | Bioorg Med Chem 15: 5166-76 (2007) Article DOI: 10.1016/j.bmc.2007.05.026 BindingDB Entry DOI: 10.7270/Q2FF3S2P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50214686 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Binding affinity at human MC4R | Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50214686 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of microsomal CYP3A4 | Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V | |||||||||||
More data for this Ligand-Target Pair |