BDBM50515566 CHEMBL4475538

SMILES: CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12

InChI Key: InChIKey=IPHJRUZANDHSCX-SRZZPIQSSA-N

Data: 1 IC50  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 2 hits for monomerid = 50515566   

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))	BDBM50515566 (CHEMBL4475538) Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12 Show InChI InChI=1S/C25H24N2O5S3/c1-25(2)31-14-16(32-25)13-30-22(28)12-27-23(29)21(35-24(27)33)11-15-8-9-18-20(10-15)34-19-7-5-4-6-17(19)26(18)3/h4-11,16H,12-14H2,1-3H3/b21-11+	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong University of Technology Curated by ChEMBL					Assay Description Inhibition of amyloid beta 1 to 42 aggregation in human SH-SY5Y cells incubated for 48 hrs by fluorescence microscopy				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111585
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50515566 (CHEMBL4475538) Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12 Show InChI InChI=1S/C25H24N2O5S3/c1-25(2)31-14-16(32-25)13-30-22(28)12-27-23(29)21(35-24(27)33)11-15-8-9-18-20(10-15)34-19-7-5-4-6-17(19)26(18)3/h4-11,16H,12-14H2,1-3H3/b21-11+	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	25	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