BDBM50020859 CHEMBL3286982

SMILES: COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O

InChI Key: InChIKey=JLPMGOFESRTFLV-MFOYZWKCSA-N

Data: 2 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 2 hits for monomerid = 50020859   

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))	BDBM50020859 (CHEMBL3286982) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair
Tau (Homo sapiens (Human))	BDBM50020859 (CHEMBL3286982) Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay				ACS Med Chem Lett 5: 619-20 (2014) Article DOI: 10.1021/ml500147n BindingDB Entry DOI: 10.7270/Q2ZW1NGS
					More data for this Ligand-Target Pair