BDBM50221118 3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-fluorophenyl)-3-methylbutyl)propanamide::CHEMBL236520

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

InChI Key: InChIKey=KKISTVNQPNAOJB-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 = 50221118   

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))	BDBM50221118 (3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...) Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H40Cl2FN5O3/c1-20(2)16-26(36-29(40)9-10-35)24-19-23(34)7-8-27(24)37-12-14-38(15-13-37)31(42)28(39-11-3-4-30(39)41)17-21-5-6-22(32)18-25(21)33/h5-8,18-20,26,28H,3-4,9-17,35H2,1-2H3,(H,36,40)/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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))	BDBM50221118 (3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...) Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H40Cl2FN5O3/c1-20(2)16-26(36-29(40)9-10-35)24-19-23(34)7-8-27(24)37-12-14-38(15-13-37)31(42)28(39-11-3-4-30(39)41)17-21-5-6-22(32)18-25(21)33/h5-8,18-20,26,28H,3-4,9-17,35H2,1-2H3,(H,36,40)/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	6.40E+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