BDBM50125274 2-[5-Chloro-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-diethylamino-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide::CHEMBL10769

SMILES: CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=SFPOPEFEUFHEAX-UHFFFAOYSA-N

Data: 3 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 = 50125274   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50125274 (2-[5-Chloro-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-p...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C33H33ClF4N4O2S/c1-3-40(4-2)17-18-41(19-23-5-9-25(10-6-23)26-11-13-27(14-12-26)33(36,37)38)30(43)21-42-20-29(34)31(44)39-32(42)45-22-24-7-15-28(35)16-8-24/h5-16,20H,3-4,17-19,21-22H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2D6				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50125274 (2-[5-Chloro-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-p...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C33H33ClF4N4O2S/c1-3-40(4-2)17-18-41(19-23-5-9-25(10-6-23)26-11-13-27(14-12-26)33(36,37)38)30(43)21-42-20-29(34)31(44)39-32(42)45-22-24-7-15-28(35)16-8-24/h5-16,20H,3-4,17-19,21-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against CYP450 3A4 isozyme				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50125274 (2-[5-Chloro-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-p...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C33H33ClF4N4O2S/c1-3-40(4-2)17-18-41(19-23-5-9-25(10-6-23)26-11-13-27(14-12-26)33(36,37)38)30(43)21-42-20-29(34)31(44)39-32(42)45-22-24-7-15-28(35)16-8-24/h5-16,20H,3-4,17-19,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair