BDBM50221144 1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-(dimethylamino)ethylamino)-3-methylbutyl)-4-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL396431

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

InChI Key: InChIKey=URXRYNAIWUJHTJ-MFMCTBQISA-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 = 50221144   

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))	BDBM50221144 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-(d...) Show SMILES CC(C)C[C@H](NCCN(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H44Cl2FN5O2/c1-22(2)18-28(36-11-13-37(3)4)26-21-25(35)9-10-29(26)38-14-16-39(17-15-38)32(42)30(40-12-5-6-31(40)41)19-23-7-8-24(33)20-27(23)34/h7-10,20-22,28,30,36H,5-6,11-19H2,1-4H3/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	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))	BDBM50221144 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(2-(d...) Show SMILES CC(C)C[C@H](NCCN(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H44Cl2FN5O2/c1-22(2)18-28(36-11-13-37(3)4)26-21-25(35)9-10-29(26)38-14-16-39(17-15-38)32(42)30(40-12-5-6-31(40)41)19-23-7-8-24(33)20-27(23)34/h7-10,20-22,28,30,36H,5-6,11-19H2,1-4H3/t28-,30+/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	3.20E+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