BDBM50221145 1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL438683
SMILES: CC(C)C[C@H](NCCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
InChI Key: InChIKey=BFYGPJBAPDERDU-LMSSTIIKSA-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)) | BDBM50221145 (1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | 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)) | BDBM50221145 (1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...) | 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 | 1.50E+4 | 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 |