BDBM50125262 CHEMBL10532::N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-methyl-4-oxo-4H-pyrimidin-1-yl]-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide

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

InChI Key: InChIKey=UTZKWISWBRTAEP-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 = 50125262   

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 3A4 (Homo sapiens (Human))	BDBM50125262 (CHEMBL10532 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N4O2S/c1-4-40(5-2)18-19-41(21-25-6-10-27(11-7-25)28-12-14-29(15-13-28)34(36,37)38)31(43)22-42-20-24(3)32(44)39-33(42)45-23-26-8-16-30(35)17-9-26/h6-17,20H,4-5,18-19,21-23H2,1-3H3	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	1.70E+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))	BDBM50125262 (CHEMBL10532 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N4O2S/c1-4-40(5-2)18-19-41(21-25-6-10-27(11-7-25)28-12-14-29(15-13-28)34(36,37)38)31(43)22-42-20-24(3)32(44)39-33(42)45-23-26-8-16-30(35)17-9-26/h6-17,20H,4-5,18-19,21-23H2,1-3H3	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	1	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50125262 (CHEMBL10532 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N4O2S/c1-4-40(5-2)18-19-41(21-25-6-10-27(11-7-25)28-12-14-29(15-13-28)34(36,37)38)31(43)22-42-20-24(3)32(44)39-33(42)45-23-26-8-16-30(35)17-9-26/h6-17,20H,4-5,18-19,21-23H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90E+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