BindingDB PrimarySearch

BDBM50221120 1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL393576::N-(1-aminoethyl)-N-[(1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-3-fluorophenyl)-3-methylbutyl]amine

SMILES: CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key: InChIKey=CGANDSYNDFLFKG-RRPNLBNLSA-N

Data: 12 KI 3 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50221120
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 (Mus musculus)	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	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 mouse MC4R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	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 to mouse MC4R				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	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]NDPMSH from human MC4R expressed in HEK293 cells				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.940	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
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Rattus norvegicus)	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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 rat MC4R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	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 mouse MC3R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Rattus norvegicus)	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	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 rat MC3R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Agonist activity at GHSR				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	750	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 MC3R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	750	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]NDPMSH from human MC3R expressed in HEK293 cells				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	850	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]NDPMSH from human MC5R expressed in HEK293 cells				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	850	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 MC5R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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 HEK293 cells by cAMP accumulation assay				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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 HEK293 cells assessed as inhibition of alpha-MSH-stimulated cAMP production				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Agonist activity at ghrelin receptor				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Agonist activity at GHSR				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50221120 (1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...) 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 Patents Similars	Article PubMed	n/a	n/a	4.90E+3	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
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair