BDBM50272656 (R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)pentanoic acid::CHEMBL448656

SMILES: N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1

InChI Key: InChIKey=KUCPVNZOVVPTBB-VWLOTQADSA-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 = 50272656   

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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50272656 ((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...) Show SMILES N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r| Show InChI InChI=1S/C31H28F5N3O5/c32-24-12-7-11-23(31(34,35)36)22(24)17-38-16-21(20-10-6-13-26(28(20)33)44-15-5-4-14-27(40)41)29(42)39(30(38)43)18-25(37)19-8-2-1-3-9-19/h1-3,6-13,16,25H,4-5,14-15,17-18,37H2,(H,40,41)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK cells				Bioorg Med Chem Lett 18: 4503-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.059 BindingDB Entry DOI: 10.7270/Q2QR4WZJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50272656 ((R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...) Show SMILES N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r| Show InChI InChI=1S/C31H28F5N3O5/c32-24-12-7-11-23(31(34,35)36)22(24)17-38-16-21(20-10-6-13-26(28(20)33)44-15-5-4-14-27(40)41)29(42)39(30(38)43)18-25(37)19-8-2-1-3-9-19/h1-3,6-13,16,25H,4-5,14-15,17-18,37H2,(H,40,41)/t25-/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+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 (unknown origin) by microtiter plate-based fluorimetric assay				Bioorg Med Chem Lett 18: 4503-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.059 BindingDB Entry DOI: 10.7270/Q2QR4WZJ
					More data for this Ligand-Target Pair