BDBM50221110 2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-3-methylbutylamino)acetic acid::CHEMBL396433

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

InChI Key: InChIKey=GGRHVKPDRUOVCO-AHKZPQOWSA-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 = 50221110   

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))	BDBM50221110 (2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...) Show SMILES CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221110 (2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...) Show SMILES CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50221110 (2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...) Show SMILES CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/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	>5.00E+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