BDBM50221140 2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-fluorophenyl)-3-methylbutyl)acetamide::CHEMBL235421

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

InChI Key: InChIKey=REJCISYQMOGOHG-AHKZPQOWSA-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 = 50221140   

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))	BDBM50221140 (2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...) Show SMILES CC(C)C[C@H](NC(=O)CN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H38Cl2FN5O3/c1-19(2)14-25(35-28(39)18-34)23-17-22(33)7-8-26(23)36-10-12-37(13-11-36)30(41)27(38-9-3-4-29(38)40)15-20-5-6-21(31)16-24(20)32/h5-8,16-17,19,25,27H,3-4,9-15,18,34H2,1-2H3,(H,35,39)/t25-,27+/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))	BDBM50221140 (2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...) Show SMILES CC(C)C[C@H](NC(=O)CN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H38Cl2FN5O3/c1-19(2)14-25(35-28(39)18-34)23-17-22(33)7-8-26(23)36-10-12-37(13-11-36)30(41)27(38-9-3-4-29(38)40)15-20-5-6-21(31)16-24(20)32/h5-8,16-17,19,25,27H,3-4,9-15,18,34H2,1-2H3,(H,35,39)/t25-,27+/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	3.60E+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