BDBM50221129 1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-3-methyl-1-(2-(methylamino)ethylamino)butyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL393204

SMILES: CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key: InChIKey=DUUPSEFOQYYDEP-LMSSTIIKSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50221129   

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))	BDBM50221129 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-3-methy...) Show SMILES CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H43Cl2N5O2/c1-22(2)19-27(35-13-12-34-3)25-7-4-5-8-28(25)36-15-17-37(18-16-36)31(40)29(38-14-6-9-30(38)39)20-23-10-11-24(32)21-26(23)33/h4-5,7-8,10-11,21-22,27,29,34-35H,6,9,12-20H2,1-3H3/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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))	BDBM50221129 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-3-methy...) Show SMILES CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H43Cl2N5O2/c1-22(2)19-27(35-13-12-34-3)25-7-4-5-8-28(25)36-15-17-37(18-16-36)31(40)29(38-14-6-9-30(38)39)20-23-10-11-24(32)21-26(23)33/h4-5,7-8,10-11,21-22,27,29,34-35H,6,9,12-20H2,1-3H3/t27-,29+/m0/s1	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	4.80E+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
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221129 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-3-methy...) Show SMILES CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H43Cl2N5O2/c1-22(2)19-27(35-13-12-34-3)25-7-4-5-8-28(25)36-15-17-37(18-16-36)31(40)29(38-14-6-9-30(38)39)20-23-10-11-24(32)21-26(23)33/h4-5,7-8,10-11,21-22,27,29,34-35H,6,9,12-20H2,1-3H3/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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
					More data for this Ligand-Target Pair