BDBM50221114 1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL393788

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

InChI Key: InChIKey=ZXOJJZQNCXSKSG-WUFINQPMSA-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 = 50221114   

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))	BDBM50221114 (1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...) Show SMILES CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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))	BDBM50221114 (1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...) Show SMILES CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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))	BDBM50221114 (1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...) Show SMILES CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,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	1.60E+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