BDBM50221134 1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(diethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL237146

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

InChI Key: InChIKey=XYHMIFWCJKCCQZ-URLMMPGGSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50221134   

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))	BDBM50221134 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(diet...) Show SMILES CCN(CC)[C@@H](CC(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2FN4O2/c1-5-36(6-2)28(19-22(3)4)25-9-7-10-27(35)31(25)37-15-17-38(18-16-37)32(41)29(39-14-8-11-30(39)40)20-23-12-13-24(33)21-26(23)34/h7,9-10,12-13,21-22,28-29H,5-6,8,11,14-20H2,1-4H3/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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))	BDBM50221134 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(diet...) Show SMILES CCN(CC)[C@@H](CC(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2FN4O2/c1-5-36(6-2)28(19-22(3)4)25-9-7-10-27(35)31(25)37-15-17-38(18-16-37)32(41)29(39-14-8-11-30(39)40)20-23-12-13-24(33)21-26(23)34/h7,9-10,12-13,21-22,28-29H,5-6,8,11,14-20H2,1-4H3/t28-,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	2.70E+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