BDBM50515567 CHEMBL4524664

SMILES: CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)N(CC(O)=O)CC(O)=O)C3=O)ccc12

InChI Key: InChIKey=RPMVBXUUBKNVLH-GIJQJNRQSA-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 = 50515567   

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))	BDBM50515567 (CHEMBL4524664) Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)N(CC(O)=O)CC(O)=O)C3=O)ccc12 Show InChI InChI=1S/C23H19N3O6S3/c1-24-14-4-2-3-5-16(14)34-17-8-13(6-7-15(17)24)9-18-22(32)26(23(33)35-18)10-19(27)25(11-20(28)29)12-21(30)31/h2-9H,10-12H2,1H3,(H,28,29)(H,30,31)/b18-9+	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	77	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