BDBM50104107 CHEMBL3593914

SMILES: CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1

InChI Key: InChIKey=IFNYCAWFLUPTCF-NGFKQFCPSA-N

Data: 3 KI

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 = 50104107   

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
Alpha-synuclein (Homo sapiens (Human))	BDBM50104107 (CHEMBL3593914) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1 Show InChI InChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)10-6-11-23-22-12-7-17-26-24(22)28(25(23)29)18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3/b10-6+,23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50104107 (CHEMBL3593914) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1 Show InChI InChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)10-6-11-23-22-12-7-17-26-24(22)28(25(23)29)18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3/b10-6+,23-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Tau (Homo sapiens (Human))	BDBM50104107 (CHEMBL3593914) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1 Show InChI InChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)10-6-11-23-22-12-7-17-26-24(22)28(25(23)29)18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3/b10-6+,23-11-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair