BDBM50515568 CHEMBL4570231

SMILES: CCOC(=O)CN(CC(=O)OCC)C(=O)CN1C(=S)S\C(=C\c2ccc3N(C)c4ccccc4Sc3c2)C1=O

InChI Key: InChIKey=ROIRNZGUYPHTLL-LPYMAVHISA-N

Data: 1 Kd

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 = 50515568   

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 amyloid A4 protein (Homo sapiens (Human))	BDBM50515568 (CHEMBL4570231) Show SMILES CCOC(=O)CN(CC(=O)OCC)C(=O)CN1C(=S)S\C(=C\c2ccc3N(C)c4ccccc4Sc3c2)C1=O Show InChI InChI=1S/C27H27N3O6S3/c1-4-35-24(32)15-29(16-25(33)36-5-2)23(31)14-30-26(34)22(39-27(30)37)13-17-10-11-19-21(12-17)38-20-9-7-6-8-18(20)28(19)3/h6-13H,4-5,14-16H2,1-3H3/b22-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
Guangdong University of Technology Curated by ChEMBL					Assay Description Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111585
					More data for this Ligand-Target Pair