BindingDB PrimarySearch

BDBM50224182 (R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazin-1-yl)-3-(4-chlorophenyl)-2-methylpropan-1-one::1-{2-[(1S)-amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine::CHEMBL401250

SMILES: CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1

InChI Key: InChIKey=IMYWIXVEAKDSQK-DVECYGJZSA-N

Data: 2 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50224182
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224182 ((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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 human MC4R expressed in HEK293 cells				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224182 ((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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 human MC4R expressed in HEK293 cells				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224182 ((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50224182 ((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...) Show SMILES Show InChI	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	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224182 ((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair