BDBM50221111 1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-fluoro-6-((S)-1-(2-hydroxyethylamino)-3-methylbutyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one::CHEMBL237147

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

InChI Key: InChIKey=HAYIRZKTTMIXAL-RRPNLBNLSA-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 = 50221111   

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))	BDBM50221111 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-fluoro-6-((S...) Show SMILES CC(C)C[C@H](NCCO)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H39Cl2FN4O3/c1-20(2)17-26(34-10-16-38)23-5-3-6-25(33)29(23)35-12-14-36(15-13-35)30(40)27(37-11-4-7-28(37)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,34,38H,4,7,10-18H2,1-2H3/t26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	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))	BDBM50221111 (1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-fluoro-6-((S...) Show SMILES CC(C)C[C@H](NCCO)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C30H39Cl2FN4O3/c1-20(2)17-26(34-10-16-38)23-5-3-6-25(33)29(23)35-12-14-36(15-13-35)30(40)27(37-11-4-7-28(37)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,34,38H,4,7,10-18H2,1-2H3/t26-,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	480	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