BDBM26497 N-[5-({6-[4-(dimethylamino)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide::aminopyrimidine, 17

SMILES: CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1

InChI Key: InChIKey=RYYWQDKKNIQWAD-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 26497   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM26497 (N-[5-({6-[4-(dimethylamino)phenyl]pyrimidin-4-yl}a...) Show SMILES CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C20H23N5O2S/c1-14-5-8-16(11-18(14)24-28(4,26)27)23-20-12-19(21-13-22-20)15-6-9-17(10-7-15)25(2)3/h5-13,24H,1-4H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa...				Bioorg Med Chem Lett 19: 17-20 (2009) Article DOI: 10.1016/j.bmcl.2008.11.027 BindingDB Entry DOI: 10.7270/Q22J696F
					More data for this Ligand-Target Pair