BDBM50221116 1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-hydroxyethylamino)-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL396884

SMILES: CC(C)C[C@H](NCCO)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F

InChI Key: InChIKey=YNRLVFCAEWMMDT-XTEPFMGCSA-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 = 50221116   

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))	BDBM50221116 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-hy...) Show SMILES CC(C)C[C@H](NCCO)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H39Cl2F3N4O3/c1-20(2)16-26(37-9-15-41)24-18-22(31(34,35)36)6-8-27(24)38-11-13-39(14-12-38)30(43)28(40-10-3-4-29(40)42)17-21-5-7-23(32)19-25(21)33/h5-8,18-20,26,28,37,41H,3-4,9-17H2,1-2H3/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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))	BDBM50221116 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-hy...) Show SMILES CC(C)C[C@H](NCCO)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H39Cl2F3N4O3/c1-20(2)16-26(37-9-15-41)24-18-22(31(34,35)36)6-8-27(24)38-11-13-39(14-12-38)30(43)28(40-10-3-4-29(40)42)17-21-5-7-23(32)19-25(21)33/h5-8,18-20,26,28,37,41H,3-4,9-17H2,1-2H3/t26-,28+/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	3.50E+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