BDBM50272657 (R)-6-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)hexanoic acid::CHEMBL444989

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

InChI Key: InChIKey=MXOCHUKULSSMCN-SANMLTNESA-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 = 50272657   

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))	BDBM50272657 ((R)-6-(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(OCCCCCC(O)=O)c1F)c1ccccc1 |r| Show InChI InChI=1S/C32H30F5N3O5/c33-25-13-8-12-24(32(35,36)37)23(25)18-39-17-22(30(43)40(31(39)44)19-26(38)20-9-3-1-4-10-20)21-11-7-14-27(29(21)34)45-16-6-2-5-15-28(41)42/h1,3-4,7-14,17,26H,2,5-6,15-16,18-19,38H2,(H,41,42)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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))	BDBM50272657 ((R)-6-(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(OCCCCCC(O)=O)c1F)c1ccccc1 |r| Show InChI InChI=1S/C32H30F5N3O5/c33-25-13-8-12-24(32(35,36)37)23(25)18-39-17-22(30(43)40(31(39)44)19-26(38)20-9-3-1-4-10-20)21-11-7-14-27(29(21)34)45-16-6-2-5-15-28(41)42/h1,3-4,7-14,17,26H,2,5-6,15-16,18-19,38H2,(H,41,42)/t26-/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	2.50E+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